 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer017_STD_wB97XD_def2SVPD.in
 Output=08_d-glucose_conformer017_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-7591.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      7597.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer017_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer017_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.103833000000      1.009818000000     -0.209983000000
  C                                                -1.570306000000     -0.369923000000      0.212697000000
  C                                                 0.324123000000      1.253641000000      0.249838000000
  C                                                 1.222830000000      0.121513000000     -0.240321000000
  O                                                 0.705145000000     -1.138942000000      0.208674000000
  C                                                -0.586536000000     -1.430137000000     -0.281880000000
  O                                                -1.910414000000      2.042418000000      0.340859000000
  H                                                -1.128218000000      1.062960000000     -1.306660000000
  O                                                -2.866006000000     -0.568325000000     -0.328582000000
  H                                                -1.596077000000     -0.416660000000      1.310841000000
  H                                                 0.337357000000      1.266229000000      1.348141000000
  O                                                 0.825986000000      2.473522000000     -0.265600000000
  C                                                 2.640265000000      0.211823000000      0.287234000000
  H                                                 1.248854000000      0.130962000000     -1.337420000000
  O                                                -0.950649000000     -2.709583000000      0.142334000000
  H                                                -0.589437000000     -1.463330000000     -1.377835000000
  H                                                -2.823047000000      1.880045000000      0.074037000000
  H                                                -3.125518000000     -1.481971000000     -0.157714000000
  H                                                 0.162268000000      3.152342000000     -0.090965000000
  O                                                 3.454334000000     -0.829331000000     -0.219954000000
  H                                                 2.611068000000      0.195309000000      1.384726000000
  H                                                 3.082358000000      1.154012000000     -0.031043000000
  H                                                -0.805281000000     -2.757294000000      1.097051000000
  H                                                 2.999252000000     -1.661081000000     -0.040522000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516556   0.000000
     3  C    1.519850   2.495236   0.000000
     4  C    2.490656   2.871993   1.526317   0.000000
     5  O    2.839867   2.401892   2.423082   1.434692   0.000000
     6  C    2.495225   1.528549   2.883520   2.383936   1.412047
     7  O    1.421359   2.439567   2.371415   3.720869   4.120640
     8  H    1.098235   2.134723   2.137367   2.747877   3.241270
     9  O    2.368513   1.418162   3.719012   4.147559   3.656141
    10  H    2.142440   1.099440   2.757318   3.262203   2.651808
    11  H    2.137879   2.757790   1.098455   2.148871   2.686727
    12  O    2.422751   3.749155   1.416211   2.385387   3.645468
    13  C    3.860349   4.251222   2.539940   1.515121   2.361234
    14  H    2.752933   3.255981   2.152887   1.097448   2.073326
    15  O    3.739189   2.421350   4.164582   3.589643   2.283192
    16  H    2.782974   2.165048   3.296338   2.662701   2.073205
    17  H    1.947732   2.578942   3.213715   4.422711   4.645487
    18  H    3.209198   1.947444   4.421504   4.635312   3.863404
    19  H    2.491503   3.937051   1.935823   3.214502   4.335853
    20  O    4.915227   5.064114   3.789155   2.425722   2.799575
    21  H    4.123956   4.379158   2.763721   2.138558   2.606888
    22  H    4.192494   4.901945   2.774289   2.137217   3.311532
    23  H    3.998575   2.658361   4.252167   3.766872   2.385302
    24  H    4.898747   4.755215   3.966892   2.524527   2.365936
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.768169   0.000000
     8  H    2.749386   2.070142   0.000000
     9  O    2.437393   2.859595   2.576361   0.000000
    10  H    2.140810   2.662093   3.042939   2.079286   0.000000
    11  H    3.283434   2.582549   3.039276   4.054445   2.563528
    12  O    4.151390   2.835759   2.625339   4.784099   4.087139
    13  C    3.664992   4.905368   4.179282   5.595255   4.403335
    14  H    2.630561   4.056015   2.553436   4.294046   3.925151
    15  O    1.396251   4.852018   4.045145   2.911244   2.653202
    16  H    1.096461   4.121791   2.584084   2.661716   3.055785
    17  H    4.010731   0.964602   2.333752   2.481625   2.882706
    18  H    2.542545   3.761166   3.433068   0.965034   2.372916
    19  H    4.647179   2.390484   2.740216   4.803152   4.218366
    20  O    4.085760   6.110808   5.075577   6.326660   5.293419
    21  H    3.955290   4.994524   4.688138   5.789378   4.252062
    22  H    4.494611   5.084815   4.400504   6.199839   5.114237
    23  H    1.926304   4.983009   4.525092   3.327251   2.479845
    24  H    3.601314   6.161670   5.104852   5.973135   4.948921
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073759   0.000000
    13  C    2.746030   2.951697   0.000000
    14  H    3.054815   2.610594   2.140576   0.000000
    15  O    4.349714   5.494308   4.631444   3.885380   0.000000
    16  H    3.967415   4.328890   4.001196   2.433663   1.998633
    17  H    3.462407   3.712548   5.716310   4.651008   4.957340
    18  H    4.670300   5.592133   6.025875   4.809198   2.515376
    19  H    2.378887   0.965306   3.863956   3.444279   5.971196
    20  O    4.070115   4.221272   1.415609   2.652364   4.803173
    21  H    2.513557   3.331718   1.098004   3.044642   4.761067
    22  H    3.074048   2.624374   1.088332   2.472850   5.587716
    23  H    4.190156   5.646174   4.619875   4.299784   0.966899
    24  H    4.193234   4.676397   1.934959   2.820861   4.090784
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.274939   0.000000
    18  H    2.814383   3.383541   0.000000
    19  H    4.850312   3.249319   5.682504   0.000000
    20  O    4.253790   6.843439   6.612433   5.167984   0.000000
    21  H    4.541592   5.838309   6.172585   4.113190   2.082302
    22  H    4.705997   5.950796   6.745530   3.538904   2.026747
    23  H    2.801070   5.159734   2.929912   6.105025   4.857557
    24  H    3.834866   6.815560   6.128509   5.587492   0.964937
                   21         22         23         24
    21  H    0.000000
    22  H    1.773592   0.000000
    23  H    4.524606   5.628912   0.000000
    24  H    2.372383   2.816335   4.119493   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.103833    1.009818   -0.209983
      2          6           0       -1.570306   -0.369923    0.212697
      3          6           0        0.324123    1.253641    0.249838
      4          6           0        1.222830    0.121513   -0.240321
      5          8           0        0.705145   -1.138942    0.208674
      6          6           0       -0.586536   -1.430137   -0.281880
      7          8           0       -1.910414    2.042418    0.340859
      8          1           0       -1.128218    1.062960   -1.306660
      9          8           0       -2.866006   -0.568325   -0.328582
     10          1           0       -1.596077   -0.416660    1.310841
     11          1           0        0.337357    1.266229    1.348141
     12          8           0        0.825986    2.473522   -0.265600
     13          6           0        2.640265    0.211823    0.287234
     14          1           0        1.248854    0.130962   -1.337420
     15          8           0       -0.950649   -2.709583    0.142334
     16          1           0       -0.589437   -1.463330   -1.377835
     17          1           0       -2.823047    1.880045    0.074037
     18          1           0       -3.125518   -1.481971   -0.157714
     19          1           0        0.162268    3.152342   -0.090965
     20          8           0        3.454334   -0.829331   -0.219954
     21          1           0        2.611068    0.195309    1.384726
     22          1           0        3.082358    1.154012   -0.031043
     23          1           0       -0.805281   -2.757294    1.097051
     24          1           0        2.999252   -1.661081   -0.040522
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1677891           0.7918127           0.4931779
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       826.0583429574 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0165675435 Hartrees.
 Nuclear repulsion after empirical dispersion term =      826.0417754139 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.43D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer017_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               5.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.520269645569    
 DIIS: error= 3.59D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.520269645569     IErMin= 1 ErrMin= 3.59D-03
 ErrMax= 3.59D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-02 BMatP= 2.30D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.59D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.449 Goal=   None    Shift=    0.000
 GapD=    0.449 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.15D-03 MaxDP=2.34D-01              OVMax= 1.64D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.15D-03    CP:  1.00D+00
 E= -686.538854316853     Delta-E=       -0.018584671284 Rises=F Damp=F
 DIIS: error= 7.43D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.538854316853     IErMin= 2 ErrMin= 7.43D-04
 ErrMax= 7.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-03 BMatP= 2.30D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.43D-03
 Coeff-Com:  0.385D-01 0.962D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.382D-01 0.962D+00
 Gap=     0.435 Goal=   None    Shift=    0.000
 RMSDP=7.27D-04 MaxDP=4.26D-02 DE=-1.86D-02 OVMax= 7.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.78D-04    CP:  1.00D+00  1.11D+00
 E= -686.539529626011     Delta-E=       -0.000675309158 Rises=F Damp=F
 DIIS: error= 7.44D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -686.539529626011     IErMin= 2 ErrMin= 7.43D-04
 ErrMax= 7.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-03 BMatP= 1.25D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.44D-03
 Coeff-Com: -0.510D-01 0.487D+00 0.564D+00
 Coeff-En:   0.000D+00 0.255D+00 0.745D+00
 Coeff:     -0.506D-01 0.485D+00 0.566D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.89D-04 MaxDP=8.91D-03 DE=-6.75D-04 OVMax= 3.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.31D-04    CP:  1.00D+00  1.13D+00  1.08D+00
 E= -686.540266909797     Delta-E=       -0.000737283786 Rises=F Damp=F
 DIIS: error= 1.00D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.540266909797     IErMin= 4 ErrMin= 1.00D-04
 ErrMax= 1.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-05 BMatP= 1.09D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-01 0.947D-01 0.153D+00 0.768D+00
 Coeff:     -0.165D-01 0.947D-01 0.153D+00 0.768D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=7.12D-05 MaxDP=2.71D-03 DE=-7.37D-04 OVMax= 7.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.87D-05    CP:  1.00D+00  1.13D+00  1.17D+00  1.07D+00
 E= -686.540285843575     Delta-E=       -0.000018933778 Rises=F Damp=F
 DIIS: error= 5.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.540285843575     IErMin= 5 ErrMin= 5.35D-05
 ErrMax= 5.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.26D-06 BMatP= 1.83D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.329D-02-0.499D-01-0.497D-01 0.264D+00 0.833D+00
 Coeff:      0.329D-02-0.499D-01-0.497D-01 0.264D+00 0.833D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=2.96D-05 MaxDP=9.64D-04 DE=-1.89D-05 OVMax= 4.42D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  1.00D+00  1.13D+00  1.22D+00  1.15D+00  1.00D+00
 E= -686.540290040935     Delta-E=       -0.000004197361 Rises=F Damp=F
 DIIS: error= 6.52D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.540290040935     IErMin= 6 ErrMin= 6.52D-06
 ErrMax= 6.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-08 BMatP= 3.26D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.792D-03-0.751D-02-0.823D-02 0.452D-03 0.821D-01 0.932D+00
 Coeff:      0.792D-03-0.751D-02-0.823D-02 0.452D-03 0.821D-01 0.932D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=5.23D-06 MaxDP=3.33D-04 DE=-4.20D-06 OVMax= 9.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.32D-06    CP:  1.00D+00  1.13D+00  1.22D+00  1.16D+00  1.05D+00
                    CP:  1.12D+00
 E= -686.540290148283     Delta-E=       -0.000000107348 Rises=F Damp=F
 DIIS: error= 3.04D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.540290148283     IErMin= 7 ErrMin= 3.04D-06
 ErrMax= 3.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-08 BMatP= 5.74D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.534D-04 0.276D-02 0.267D-02-0.317D-01-0.638D-01 0.365D+00
 Coeff-Com:  0.725D+00
 Coeff:     -0.534D-04 0.276D-02 0.267D-02-0.317D-01-0.638D-01 0.365D+00
 Coeff:      0.725D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.83D-06 MaxDP=1.25D-04 DE=-1.07D-07 OVMax= 3.32D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.71D-07    CP:  1.00D+00  1.13D+00  1.22D+00  1.15D+00  1.06D+00
                    CP:  1.18D+00  1.07D+00
 E= -686.540290169424     Delta-E=       -0.000000021140 Rises=F Damp=F
 DIIS: error= 1.01D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.540290169424     IErMin= 8 ErrMin= 1.01D-06
 ErrMax= 1.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-09 BMatP= 1.88D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-03 0.198D-02 0.208D-02-0.132D-01-0.346D-01 0.372D-01
 Coeff-Com:  0.264D+00 0.743D+00
 Coeff:     -0.115D-03 0.198D-02 0.208D-02-0.132D-01-0.346D-01 0.372D-01
 Coeff:      0.264D+00 0.743D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=5.28D-07 MaxDP=2.55D-05 DE=-2.11D-08 OVMax= 1.16D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.85D-07    CP:  1.00D+00  1.13D+00  1.22D+00  1.15D+00  1.06D+00
                    CP:  1.19D+00  1.14D+00  1.18D+00
 E= -686.540290171240     Delta-E=       -0.000000001816 Rises=F Damp=F
 DIIS: error= 3.13D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.540290171240     IErMin= 9 ErrMin= 3.13D-07
 ErrMax= 3.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-10 BMatP= 1.76D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.351D-04 0.467D-03 0.510D-03-0.205D-02-0.658D-02-0.193D-01
 Coeff-Com:  0.304D-01 0.285D+00 0.711D+00
 Coeff:     -0.351D-04 0.467D-03 0.510D-03-0.205D-02-0.658D-02-0.193D-01
 Coeff:      0.304D-01 0.285D+00 0.711D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.64D-07 MaxDP=6.47D-06 DE=-1.82D-09 OVMax= 3.31D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.82D-08    CP:  1.00D+00  1.13D+00  1.22D+00  1.15D+00  1.06D+00
                    CP:  1.19D+00  1.16D+00  1.25D+00  1.07D+00
 E= -686.540290171402     Delta-E=       -0.000000000162 Rises=F Damp=F
 DIIS: error= 6.71D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.540290171402     IErMin=10 ErrMin= 6.71D-08
 ErrMax= 6.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-11 BMatP= 1.85D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.178D-05-0.743D-04-0.790D-04 0.813D-03 0.189D-02-0.841D-02
 Coeff-Com: -0.205D-01-0.771D-02 0.185D+00 0.849D+00
 Coeff:      0.178D-05-0.743D-04-0.790D-04 0.813D-03 0.189D-02-0.841D-02
 Coeff:     -0.205D-01-0.771D-02 0.185D+00 0.849D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=6.49D-08 MaxDP=2.90D-06 DE=-1.62D-10 OVMax= 1.27D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.31D-08    CP:  1.00D+00  1.13D+00  1.22D+00  1.15D+00  1.06D+00
                    CP:  1.19D+00  1.16D+00  1.28D+00  1.15D+00  1.05D+00
 E= -686.540290171404     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 2.49D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.540290171404     IErMin=11 ErrMin= 2.49D-08
 ErrMax= 2.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-12 BMatP= 1.08D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.318D-05-0.629D-04-0.694D-04 0.481D-03 0.125D-02-0.239D-02
 Coeff-Com: -0.104D-01-0.199D-01 0.322D-01 0.334D+00 0.665D+00
 Coeff:      0.318D-05-0.629D-04-0.694D-04 0.481D-03 0.125D-02-0.239D-02
 Coeff:     -0.104D-01-0.199D-01 0.322D-01 0.334D+00 0.665D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=5.08D-07 DE=-2.05D-12 OVMax= 2.86D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.27D-09    CP:  1.00D+00  1.13D+00  1.22D+00  1.15D+00  1.06D+00
                    CP:  1.19D+00  1.16D+00  1.28D+00  1.16D+00  1.11D+00
                    CP:  1.13D+00
 E= -686.540290171456     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 1.09D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -686.540290171456     IErMin=12 ErrMin= 1.09D-08
 ErrMax= 1.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-13 BMatP= 1.50D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.733D-06-0.907D-05-0.111D-04 0.341D-04 0.122D-03 0.521D-03
 Coeff-Com: -0.222D-03-0.535D-02-0.198D-01-0.269D-01 0.249D+00 0.803D+00
 Coeff:      0.733D-06-0.907D-05-0.111D-04 0.341D-04 0.122D-03 0.521D-03
 Coeff:     -0.222D-03-0.535D-02-0.198D-01-0.269D-01 0.249D+00 0.803D+00
 Gap=     0.430 Goal=   None    Shift=    0.000
 RMSDP=6.32D-09 MaxDP=3.00D-07 DE=-5.23D-11 OVMax= 1.64D-07

 SCF Done:  E(RwB97XD) =  -686.540290171     A.U. after   12 cycles
            NFock= 12  Conv=0.63D-08     -V/T= 2.0095
 KE= 6.800780464547D+02 PE=-3.260152662602D+03 EE= 1.067492550562D+03
 Leave Link  502 at Fri Aug 13 10:51:16 2021, MaxMem=  5368709120 cpu:            1964.1 elap:             245.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.36101813D+02

 Leave Link  801 at Fri Aug 13 10:51:17 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.85D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.67D-01 6.14D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 3.43D-02 2.69D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 2.87D-03 1.17D-02.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 4.25D-04 3.02D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 3.86D-05 9.04D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 1.21D-06 1.33D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 4.26D-08 1.98D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 1.29D-09 2.86D-06.
     11 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 4.37D-11 4.95D-07.
      8 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 1.07D-12 8.36D-08.
      3 vectors produced by pass 11 Test12= 2.45D-13 8.33D-09 XBig12= 2.69D-14 1.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.107976D+03
      2  0.136796D+01  0.102878D+03
      3  0.322495D+00 -0.409904D+00  0.836158D+02
 Isotropic polarizability for W=    0.088559       98.16 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.282241D+02 -0.163463D+02 -0.912544D+01
      2  -0.245724D+02  0.182346D+02  0.415236D+01
      3  -0.365171D+01 -0.188830D+01  0.497309D+01
      4  -0.506106D+00 -0.854700D+01  0.782347D+00
      5  -0.263552D+01  0.153626D+01  0.106648D+02
      6  -0.362745D+01  0.692653D+01  0.241683D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.466578D+00 -0.366838D+01 -0.213119D+01
      2  -0.253835D+01  0.147984D+01  0.624132D+01
      3   0.116265D+02 -0.119272D+02 -0.288053D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.753911D+00  0.277418D+01 -0.430513D+01
      2  -0.648993D+01  0.440980D+01  0.143165D+02
      3   0.158402D+02 -0.160254D+02 -0.516371D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.511867D+00  0.108721D+01 -0.931939D+00
      2   0.108721D+01 -0.104527D+00  0.120786D+01
      3  -0.931939D+00  0.120786D+01 -0.317717D+00
 OR G Eigenvalues:    -2.4636     0.4875     1.0420  Iso=     0.3114
 Eigenvectors:
   (1)   0.590178  -0.566469   0.575154
   (2)   0.774773   0.197336  -0.600655
   (3)   0.226754   0.800107   0.555348
 w=    0.088559 a.u., Optical Rotation Beta=      0.3114 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       87.64 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.73D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.19D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.55D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 1.27D-01 3.01D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 3.62D-03 5.87D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 5.67D-05 7.96D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 1.61D-06 1.22D-04.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 1.92D-08 1.35D-05.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 1.84D-10 1.36D-06.
     30 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 1.54D-12 1.22D-07.
     16 vectors produced by pass  8 Test12= 4.08D-14 2.78D-09 XBig12= 1.14D-14 1.12D-08.
      2 vectors produced by pass  9 Test12= 4.08D-14 2.78D-09 XBig12= 5.80D-15 4.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.89D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107976D+03  0.136796D+01  0.322495D+00
      2   0.136796D+01  0.102878D+03 -0.409904D+00
      3   0.322495D+00 -0.409904D+00  0.836158D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466578D+00 -0.366838D+01 -0.213119D+01
      2  -0.253835D+01  0.147984D+01  0.624132D+01
      3   0.116265D+02 -0.119272D+02 -0.288053D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.282241D+02 -0.163463D+02 -0.912544D+01
      2  -0.245724D+02  0.182346D+02  0.415236D+01
      3  -0.365171D+01 -0.188830D+01  0.497309D+01
      4  -0.506106D+00 -0.854700D+01  0.782347D+00
      5  -0.263552D+01  0.153626D+01  0.106648D+02
      6  -0.362745D+01  0.692653D+01  0.241683D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.242821D+01 -0.202720D+01 -0.957419D+00 -0.259699D+01  0.245834D+01
      2  -0.202720D+01  0.300945D+01  0.205425D+00  0.245834D+01  0.292294D+00
      3  -0.957419D+00  0.205425D+00 -0.539292D+00  0.328412D+00 -0.974192D+00
                 6             7             8             9            10 
      1   0.328412D+00 -0.132497D+01  0.667195D+00 -0.817051D-01  0.321629D+01
      2  -0.974192D+00  0.667195D+00 -0.144941D+01 -0.507616D+00  0.176142D+01
      3   0.342999D+00 -0.817051D-01 -0.507616D+00  0.784674D+01  0.122889D+01
                11            12            13            14            15 
      1   0.176142D+01  0.122889D+01  0.167861D+01 -0.232588D+01 -0.227793D+00
      2  -0.135160D+01  0.436383D-01 -0.232588D+01 -0.131854D+01  0.569129D+00
      3   0.436383D-01 -0.117161D+01 -0.227793D+00  0.569129D+00  0.466557D+00
                16            17            18            19            20 
      1   0.217935D+01 -0.802953D-01 -0.153591D-01  0.213349D+01  0.195605D+01
      2  -0.802953D-01  0.575120D+00  0.450499D+00  0.195605D+01 -0.267108D+01
      3  -0.153591D-01  0.450499D+00 -0.806051D+01  0.836843D+00  0.166853D+00
                21            22            23            24            25 
      1   0.836843D+00  0.137710D+01 -0.314407D+01 -0.209532D-01  0.107887D+01
      2   0.166853D+00 -0.314407D+01 -0.156454D+01  0.103175D+01  0.378330D+00
      3   0.284445D+00 -0.209532D-01  0.103175D+01  0.855096D+00 -0.216593D+00
                26            27            28            29            30 
      1   0.378330D+00 -0.216593D+00 -0.231606D+01 -0.963970D-01 -0.982723D+00
      2   0.186896D+01  0.401800D+00 -0.963970D-01  0.275661D+01 -0.213282D+00
      3   0.401800D+00 -0.774776D+01 -0.982723D+00 -0.213282D+00 -0.353444D+00
                31            32            33            34            35 
      1   0.637667D+00  0.385442D+01  0.451015D+00 -0.140183D+01  0.104092D+00
      2   0.385442D+01  0.190671D+01 -0.958890D+00  0.104092D+00 -0.126090D+01
      3   0.451015D+00 -0.958890D+00 -0.637186D+00 -0.257449D+00  0.949562D-01
                36            37            38            39            40 
      1  -0.257449D+00  0.596540D+01 -0.925955D-01  0.743865D+00 -0.151973D+01
      2   0.949562D-01 -0.925955D-01  0.128076D+00 -0.518533D+00 -0.637688D+00
      3   0.798321D+01  0.743865D+00 -0.518533D+00 -0.238989D+00 -0.262173D+00
                41            42            43            44            45 
      1  -0.637688D+00 -0.262173D+00  0.275544D+01  0.640598D+00  0.434341D+00
      2  -0.400878D+01  0.747208D+00  0.640598D+00  0.177911D+01 -0.535009D+00
      3   0.747208D+00  0.394273D+00  0.434341D+00 -0.535009D+00 -0.107144D+01
                46            47            48            49            50 
      1  -0.336320D+01 -0.288170D+01 -0.595554D+00 -0.108705D+01  0.192802D+01
      2  -0.288170D+01  0.776331D+00  0.693162D+00  0.192802D+01  0.120471D+01
      3  -0.595554D+00  0.693162D+00  0.368807D+00  0.121768D-01 -0.280763D+00
                51            52            53            54            55 
      1   0.121768D-01 -0.185717D+01  0.250930D-01  0.117477D+00  0.318285D+01
      2  -0.280763D+00  0.250930D-01 -0.105736D+01  0.134783D-01  0.195138D+01
      3  -0.158785D+01  0.117477D+00  0.134783D-01  0.778966D+01  0.140190D+01
                56            57            58            59            60 
      1   0.195138D+01  0.140190D+01  0.319340D+01 -0.273401D+01 -0.183727D+00
      2  -0.133620D+01 -0.634199D-01 -0.273401D+01  0.631778D+01  0.111291D+01
      3  -0.634199D-01  0.701059D+00 -0.183727D+00  0.111291D+01  0.189166D+00
                61            62            63            64            65 
      1   0.286895D+01 -0.109467D+01 -0.571352D+00  0.415693D+00  0.331632D+00
      2  -0.109467D+01  0.222931D+01  0.138803D+01  0.331632D+00 -0.552449D+00
      3  -0.571352D+00  0.138803D+01  0.372314D+00 -0.919856D+00  0.621372D-01
                66            67            68            69            70 
      1  -0.919856D+00  0.464774D+00 -0.479738D+00  0.829138D-01 -0.183232D+01
      2   0.621372D-01 -0.479738D+00  0.687036D-01 -0.100608D+01  0.177999D+00
      3  -0.143601D-01  0.829138D-01 -0.100608D+01  0.263255D+00 -0.391970D+00
                71            72            73            74            75 
      1   0.177999D+00 -0.391970D+00 -0.762003D+01 -0.134835D+00 -0.107926D+01
      2  -0.176576D+01  0.677941D+00 -0.134835D+00  0.546832D+00 -0.194243D+00
      3   0.677941D+00 -0.738256D+01 -0.107926D+01 -0.194243D+00  0.401026D+00
                76            77            78            79            80 
      1   0.283154D+01  0.894360D+00  0.167482D+00 -0.285289D+01 -0.635341D+00
      2   0.894360D+00  0.422803D+01 -0.927251D+00 -0.635341D+00 -0.138471D+01
      3   0.167482D+00 -0.927251D+00  0.823703D+00 -0.136175D+01 -0.333507D-01
                81            82            83            84            85 
      1  -0.136175D+01 -0.631443D+00 -0.311156D+00  0.998229D+00 -0.377519D+00
      2  -0.333507D-01 -0.311156D+00  0.369690D+00  0.139656D-01  0.356459D+00
      3  -0.358003D+00  0.998229D+00  0.139656D-01  0.391603D-01  0.339196D-01
                86            87            88            89            90 
      1   0.356459D+00  0.339196D-01  0.186577D+01  0.197569D+00 -0.546914D+00
      2   0.903244D-01  0.104271D+01  0.197569D+00  0.172821D+01 -0.495698D+00
      3   0.104271D+01 -0.472779D+00 -0.546914D+00 -0.495698D+00  0.758496D+01
                91            92            93            94            95 
      1  -0.164554D+00 -0.388200D+00  0.939927D+00 -0.287058D+00  0.532699D+00
      2  -0.388200D+00  0.491394D+00  0.569965D-01  0.532699D+00  0.415495D+00
      3   0.939927D+00  0.569965D-01  0.324369D-01  0.818310D-01  0.101862D+01
                96            97            98            99           100 
      1   0.818310D-01  0.181315D+01 -0.246389D-01  0.323680D+00  0.399100D+01
      2   0.101862D+01 -0.246389D-01  0.182962D+01  0.425385D+00  0.597285D+00
      3   0.241773D-02  0.323680D+00  0.425385D+00  0.750262D+01 -0.917116D+00
               101           102           103           104           105 
      1   0.597285D+00 -0.917116D+00 -0.188349D+00  0.391164D+01  0.805447D-01
      2   0.547207D+01 -0.758632D-01  0.391164D+01  0.255702D+01 -0.878474D+00
      3  -0.758632D-01  0.479782D+00  0.805447D-01 -0.878474D+00 -0.605263D+00
               106           107           108           109           110 
      1  -0.118539D+01 -0.283821D+00  0.850957D+00  0.257652D+01  0.309518D+00
      2  -0.283821D+00 -0.252681D+01  0.106516D+01  0.309518D+00 -0.246710D+01
      3   0.850957D+00  0.106516D+01 -0.231192D+00  0.167785D+01  0.256813D+00
               111           112           113           114           115 
      1   0.167785D+01  0.521494D+00 -0.394320D+01  0.270530D-01  0.213477D+01
      2   0.256813D+00 -0.394320D+01 -0.254169D+01  0.125954D+01 -0.231361D+00
      3   0.929389D+00  0.270530D-01  0.125954D+01 -0.598081D+00 -0.616702D+00
               116           117           118           119           120 
      1  -0.231361D+00 -0.616702D+00  0.104795D+01  0.205270D+00 -0.100352D+01
      2   0.143630D+01 -0.119342D+01  0.205270D+00 -0.322200D+00  0.518955D-01
      3  -0.119342D+01 -0.718481D+01 -0.100352D+01  0.518955D-01  0.573380D+00
               121           122           123           124           125 
      1   0.160952D+00 -0.389267D+00 -0.241523D+00 -0.211217D+01 -0.178337D+00
      2  -0.389267D+00  0.155008D-01 -0.987521D+00 -0.178337D+00 -0.161594D+01
      3  -0.241523D+00 -0.987521D+00  0.148472D+00  0.924578D+00  0.137900D+00
               126           127           128           129           130 
      1   0.924578D+00 -0.111361D+01 -0.147092D+01  0.182109D+00 -0.175342D+01
      2   0.137900D+00 -0.147092D+01 -0.131916D+01  0.202104D+00 -0.149835D+01
      3  -0.741266D+01  0.182109D+00  0.202104D+00 -0.401681D+00 -0.699798D-01
               131           132           133           134           135 
      1  -0.149835D+01 -0.699798D-01 -0.143546D+00 -0.124776D+00 -0.277779D+00
      2  -0.828061D+01 -0.337400D+00 -0.124776D+00 -0.196070D+01  0.802231D+00
      3  -0.337400D+00  0.807643D+00 -0.277779D+00  0.802231D+00 -0.536294D+01
               136           137           138           139           140 
      1   0.148130D+00  0.852749D-01 -0.110700D+01  0.103086D+00 -0.408254D+00
      2   0.852749D-01 -0.274741D+00 -0.162031D+00 -0.408254D+00 -0.971411D+00
      3  -0.110700D+01 -0.162031D+00 -0.184838D+00  0.109739D-01 -0.975563D+00
               141           142           143           144           145 
      1   0.109739D-01 -0.182349D+01 -0.431538D+00 -0.393653D+00 -0.838174D+01
      2  -0.975563D+00 -0.431538D+00 -0.188356D+01 -0.141597D+01  0.157747D+01
      3  -0.304931D+00 -0.393653D+00 -0.141597D+01 -0.756437D+01 -0.527902D+00
               146           147           148           149           150 
      1   0.157747D+01 -0.527902D+00 -0.120232D+00 -0.659757D+00 -0.894774D-02
      2  -0.186751D+01 -0.842935D-01 -0.659757D+00  0.273349D+00 -0.226828D+00
      3  -0.842935D-01 -0.122898D+01 -0.894774D-02 -0.226828D+00  0.167771D+00
               151           152           153           154           155 
      1  -0.154305D+01  0.262005D+00 -0.978413D+00 -0.256425D+01 -0.183611D+01
      2   0.262005D+00 -0.523808D+00  0.318285D+00 -0.183611D+01 -0.208586D+01
      3  -0.978413D+00  0.318285D+00 -0.125266D+00  0.131593D+00  0.234373D-01
               156           157           158           159           160 
      1   0.131593D+00 -0.397878D+01 -0.299608D+01 -0.143487D+00  0.655056D+00
      2   0.234373D-01 -0.299608D+01 -0.556101D+01  0.234960D+00  0.320162D+00
      3  -0.646889D+00 -0.143487D+00  0.234960D+00 -0.977244D+00 -0.718678D+00
               161           162           163           164           165 
      1   0.320162D+00 -0.718678D+00 -0.194623D+01  0.141147D+01  0.227910D+00
      2   0.679196D+00 -0.624230D+00  0.141147D+01 -0.364568D+01  0.385956D-01
      3  -0.624230D+00 -0.218993D-01  0.227910D+00  0.385956D-01 -0.437767D+00
               166           167           168           169           170 
      1   0.172920D+01 -0.146416D+01 -0.112189D+00  0.372185D+00 -0.169722D+00
      2  -0.146416D+01  0.652182D+01  0.144966D+00 -0.169722D+00  0.788895D+00
      3  -0.112189D+00  0.144966D+00  0.105659D+01 -0.170260D+00  0.860671D+00
               171           172           173           174           175 
      1  -0.170260D+00  0.748257D+01 -0.227647D+01 -0.133476D+01 -0.117821D+01
      2   0.860671D+00 -0.227647D+01  0.340682D+01  0.577585D-02  0.343266D+01
      3  -0.649444D-01 -0.133476D+01  0.577585D-02  0.507249D+00  0.287008D-01
               176           177           178           179           180 
      1   0.343266D+01  0.287008D-01 -0.229886D+01  0.691725D+00  0.167608D+01
      2   0.157178D+01 -0.739794D+00  0.691725D+00 -0.151530D+01 -0.607625D+00
      3  -0.739794D+00  0.653764D+00  0.167608D+01 -0.607625D+00 -0.699655D+00
               181           182           183           184           185 
      1  -0.366123D+00  0.282629D+00  0.103110D+01 -0.254319D+00  0.690136D+00
      2   0.282629D+00  0.231503D+00 -0.118885D+00  0.690136D+00  0.418707D+00
      3   0.103110D+01 -0.118885D+00 -0.282515D+00 -0.451468D-01  0.968128D+00
               186           187           188           189           190 
      1  -0.451468D-01  0.237534D+01 -0.192929D+00  0.130097D+01  0.258265D+01
      2   0.968128D+00 -0.192929D+00  0.153336D+01  0.105142D+01  0.202945D+01
      3  -0.175063D-01  0.130097D+01  0.105142D+01  0.820035D+01 -0.699356D+00
               191           192           193           194           195 
      1   0.202945D+01 -0.699356D+00  0.324531D+01  0.257397D+01 -0.185160D+00
      2   0.205617D+01 -0.184233D+00  0.257397D+01  0.542458D+01 -0.780610D+00
      3  -0.184233D+00  0.618560D+00 -0.185160D+00 -0.780610D+00  0.964535D+00
               196           197           198           199           200 
      1  -0.155557D+01 -0.352172D+00  0.854684D+00 -0.126813D+00 -0.431581D+00
      2  -0.352172D+00 -0.142102D+01  0.101035D+01 -0.431581D+00  0.246251D+00
      3   0.854684D+00  0.101035D+01 -0.188014D+00  0.505097D+00 -0.227130D+00
               201           202           203           204           205 
      1   0.505097D+00 -0.349230D+00  0.212789D-02  0.175615D-01  0.131205D+01
      2  -0.227130D+00  0.212789D-02 -0.124458D+01  0.753147D+00  0.301627D+00
      3   0.603082D+00  0.175615D-01  0.753147D+00 -0.757191D+00 -0.745497D-01
               206           207           208           209           210 
      1   0.301627D+00 -0.745497D-01 -0.172030D+01 -0.551690D+00  0.219158D+00
      2   0.312925D+01 -0.261006D+01 -0.551690D+00 -0.159760D+01  0.211127D-01
      3  -0.261006D+01  0.613239D+01  0.219158D+00  0.211127D-01 -0.380178D-01
               211           212           213           214           215 
      1  -0.225223D+01  0.456254D-01  0.178496D+00  0.520347D+00  0.332024D-01
      2   0.456254D-01 -0.581563D+01  0.190294D+00  0.332024D-01  0.787940D+00
      3   0.178496D+00  0.190294D+00 -0.117821D+01  0.190360D+00 -0.675126D+00
               216 
      1   0.190360D+00
      2  -0.675126D+00
      3   0.637898D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.122251D+01 -0.349936D-01 -0.102823D+01 -0.134559D+01  0.780890D+00
      2   0.137606D+01 -0.334970D+00  0.502253D+00 -0.446747D+00  0.200166D+01
      3  -0.324433D+01 -0.198742D+01 -0.944207D+00  0.337787D+01  0.176390D+01
                 6             7             8             9            10 
      1  -0.335805D+00 -0.167625D+00  0.395769D+01 -0.644354D+01  0.530926D+00
      2   0.761450D+00 -0.287110D+01  0.420181D+00 -0.752723D+01 -0.198451D+01
      3  -0.351071D+00  0.870485D-01 -0.106269D+01 -0.647928D+00  0.866133D+00
                11            12            13            14            15 
      1  -0.564072D+00 -0.557363D-01  0.355904D+00 -0.131384D+01 -0.133564D+01
      2  -0.103494D+01  0.937224D+00  0.125627D+00 -0.213279D+01 -0.168161D+01
      3  -0.545115D+01 -0.655573D+00  0.206059D+00 -0.332768D+00  0.181453D+01
                16            17            18            19            20 
      1  -0.511274D+00  0.220712D+01 -0.376536D+01 -0.973384D+00 -0.377063D+00
      2  -0.331497D+01 -0.124981D+01  0.985407D+01 -0.104691D+01  0.280726D+00
      3  -0.973261D+00  0.102544D+01  0.713554D+00  0.161606D+01  0.682414D-01
                21            22            23            24            25 
      1   0.836013D+00 -0.461539D+00 -0.163299D+01 -0.178130D+00  0.121263D+01
      2   0.145693D+01 -0.766867D+00  0.421715D+00 -0.371157D+00 -0.344769D+01
      3   0.123000D+01  0.576245D+01 -0.403201D+01 -0.103961D+01  0.123857D+01
                26            27            28            29            30 
      1   0.274146D+01  0.792883D+01  0.819120D+00 -0.279747D+00  0.147695D+01
      2  -0.219886D+00 -0.156452D+01 -0.223107D+01 -0.261471D+00  0.513243D-01
      3   0.180009D+00 -0.790523D+00 -0.514508D+01 -0.833992D+01 -0.730872D+00
                31            32            33            34            35 
      1  -0.102790D+01  0.985608D+00  0.140100D+01  0.154535D+01  0.303142D+01
      2  -0.463972D+00 -0.141661D+01 -0.177233D+01 -0.486826D+01  0.172016D+01
      3  -0.517704D+01 -0.219442D+01  0.206306D+01 -0.545272D+00  0.116181D+01
                36            37            38            39            40 
      1  -0.358261D+01  0.873766D+00  0.432478D+00 -0.260846D+01  0.875731D+00
      2   0.133472D+02  0.791697D+00  0.318894D+00  0.773471D+01  0.122244D+00
      3  -0.301809D+00 -0.921679D+01 -0.712353D+01 -0.835029D+00  0.106793D+02
                41            42            43            44            45 
      1   0.728447D+00 -0.571388D+01  0.236629D+01  0.407614D+01  0.199211D+00
      2   0.959630D+00  0.192535D+01 -0.491862D+01 -0.248456D+01  0.876765D+00
      3   0.496536D+01 -0.817729D+00 -0.337542D+01 -0.230194D+01 -0.209371D+00
                46            47            48            49            50 
      1  -0.342678D+00 -0.183124D+00  0.172967D+01 -0.736268D+00 -0.117754D+01
      2   0.130851D+01  0.105758D+00 -0.408304D+01 -0.641880D+00  0.150768D+01
      3   0.314023D+01  0.466464D+01  0.101135D+01  0.349298D+01  0.986761D+00
                51            52            53            54            55 
      1  -0.692790D+00 -0.114526D+01  0.310147D+01  0.112405D+02 -0.297332D+01
      2  -0.151537D+00 -0.407083D+01 -0.134511D+01 -0.816370D+01 -0.584842D+01
      3  -0.123653D+01  0.255564D+01 -0.104137D+01 -0.215858D+00  0.138522D+02
                56            57            58            59            60 
      1   0.558264D-01  0.575826D+00  0.132082D+01 -0.182538D+01 -0.531963D+01
      2   0.153893D+01  0.169557D+01  0.165897D+00 -0.191870D+01 -0.256171D+01
      3  -0.169006D+01  0.247901D+01  0.778007D+01  0.857378D+01  0.112529D+01
                61            62            63            64            65 
      1   0.441108D+00  0.970484D+00 -0.229496D+01  0.733525D+00 -0.947501D-01
      2  -0.393078D+01 -0.159537D+01 -0.231318D+01  0.153112D+01 -0.232636D+00
      3   0.508629D+01  0.332692D+01  0.148368D+01  0.808069D+00 -0.118408D+01
                66            67            68            69            70 
      1  -0.489773D+00 -0.156751D+00  0.130745D+01 -0.672971D+00 -0.476732D-01
      2   0.715023D+00 -0.591608D-01  0.860731D+00  0.239028D+00 -0.371463D+01
      3  -0.733928D+00  0.962258D+00 -0.367781D+00 -0.970503D+00 -0.195511D+01
                71            72            73            74            75 
      1   0.354315D+01  0.711723D+01 -0.144162D+01 -0.422593D+00 -0.363221D+00
      2  -0.379495D+00  0.820322D+01  0.336404D+01  0.164640D+01  0.591927D+01
      3  -0.195093D+01  0.550858D+00  0.680404D+01 -0.373012D+01  0.270998D+00
                76            77            78            79            80 
      1  -0.210268D+01 -0.255650D+01 -0.101934D+01  0.432540D+00  0.397957D+01
      2   0.772747D+00  0.321986D+01 -0.187243D+01 -0.171261D+00 -0.552377D+00
      3   0.444556D+01  0.175345D+02 -0.215420D+01  0.100263D+01 -0.492481D+01
                81            82            83            84            85 
      1  -0.751771D+00  0.355001D+00  0.346328D+00  0.438455D+00  0.556764D+00
      2   0.272367D+01 -0.192243D+01 -0.167909D-01  0.270525D+00  0.235456D+00
      3   0.823955D+00 -0.116346D+00 -0.226338D+00 -0.297697D+00  0.162811D+01
                86            87            88            89            90 
      1   0.622960D+00 -0.147181D+01  0.790101D-01  0.400567D+01  0.273637D+01
      2  -0.164769D+01  0.298243D+00 -0.335864D+01  0.531038D+00 -0.114902D+02
      3   0.267281D+00  0.124584D+01 -0.658986D+00  0.283309D+01 -0.887764D-01
                91            92            93            94            95 
      1  -0.155186D+01  0.992697D-01  0.239837D+00 -0.151121D+00 -0.141659D+01
      2   0.261450D+00  0.654441D+00  0.642102D+00  0.581295D+00  0.262600D+00
      3   0.259150D-01 -0.153397D+01  0.110929D+01  0.441388D+00  0.396560D+00
                96            97            98            99           100 
      1  -0.334112D+00 -0.407651D+00  0.356842D+01 -0.914951D+01  0.226721D+01
      2  -0.368854D+00 -0.453592D+01  0.110569D+00  0.174162D+01  0.281150D+00
      3  -0.173720D+00  0.248036D+01 -0.796960D+00  0.257438D+00  0.135841D+02
               101           102           103           104           105 
      1  -0.914623D+00 -0.332625D+01 -0.591389D+00  0.417639D+01 -0.408729D+01
      2  -0.134512D+01  0.312789D+01  0.487878D+00  0.340407D+00  0.148588D+01
      3  -0.986854D+01 -0.174540D+01 -0.422181D+00  0.843252D+01  0.112536D+01
               106           107           108           109           110 
      1  -0.239157D+01  0.200781D+01  0.234306D+01 -0.155616D+01 -0.113918D+01
      2  -0.224561D+01  0.114206D+01 -0.611964D+00  0.399476D+01  0.998762D+00
      3  -0.420648D+01  0.145164D+01  0.116022D+01  0.300492D+01  0.609223D+01
               111           112           113           114           115 
      1  -0.211068D+01 -0.238537D+01 -0.313060D+01  0.461602D+00 -0.109259D+00
      2   0.192018D+01  0.141407D+01  0.477834D+01 -0.325722D-01 -0.632521D+01
      3  -0.234877D+00  0.146977D+02  0.420899D+01 -0.354866D+01  0.109371D+01
               116           117           118           119           120 
      1   0.222763D+01  0.485801D+01  0.278470D+00  0.414673D+00  0.300407D+00
      2  -0.298455D+01 -0.187558D+02 -0.110191D+01  0.197747D+00  0.164031D+01
      3  -0.461942D+01  0.321229D+01 -0.957700D-01  0.291418D+00 -0.395329D+00
               121           122           123           124           125 
      1   0.192316D+00  0.526195D-01 -0.551124D+00 -0.263050D-01  0.386482D+01
      2  -0.375932D+00 -0.162954D+01  0.163395D+00 -0.348067D+01 -0.464055D-01
      3   0.242062D+01 -0.697950D+00  0.148083D+01 -0.222128D+00  0.283443D+01
               126           127           128           129           130 
      1   0.232764D+01 -0.267272D-02  0.131904D+00 -0.192700D+01  0.300322D+00
      2  -0.107612D+02  0.108542D+00 -0.156466D+01  0.476352D+01  0.556364D+00
      3  -0.859496D+00  0.262954D+01 -0.169513D+01  0.783946D+00  0.941087D+01
               131           132           133           134           135 
      1  -0.420856D-01 -0.448410D+01 -0.844804D-01  0.557315D+01 -0.165633D+02
      2   0.173697D-01  0.155510D+00 -0.147353D+00 -0.809943D+00  0.479207D+01
      3  -0.423032D+01 -0.787486D-01  0.406624D+00 -0.632209D+00  0.190196D+01
               136           137           138           139           140 
      1  -0.202367D+01 -0.164263D+00 -0.440228D+00  0.266013D+00 -0.114477D+01
      2   0.867508D+00  0.198388D+00  0.732979D+00  0.544542D+00  0.635697D+00
      3  -0.465199D-01 -0.162787D+01  0.193330D+01  0.216654D+00  0.285421D+00
               141           142           143           144           145 
      1  -0.907983D+00 -0.129019D+00  0.246928D+01 -0.111410D+02  0.167933D+01
      2   0.465163D-01 -0.395983D+01  0.760656D+00  0.648821D+01  0.468513D+01
      3  -0.548271D+00  0.335057D+01 -0.560985D+00  0.426594D+00 -0.173156D+02
               146           147           148           149           150 
      1   0.407711D-01  0.240340D+01  0.597062D-01  0.520036D+00 -0.105561D+00
      2  -0.372953D+00  0.420522D+01  0.219158D+00  0.538007D+00 -0.106287D+00
      3  -0.308604D+01 -0.182975D+01 -0.205025D+01 -0.239177D+01 -0.707789D+00
               151           152           153           154           155 
      1   0.182215D+01  0.300283D+00  0.274289D+00  0.863018D+00  0.929442D+00
      2   0.210744D+01 -0.704720D+00  0.741594D+00 -0.858850D+00 -0.710264D+00
      3  -0.376610D+01 -0.116541D+01 -0.131061D+01 -0.428844D+01 -0.528076D+01
               156           157           158           159           160 
      1  -0.991633D+00  0.141624D+01  0.254482D+01 -0.204123D+01 -0.981308D+00
      2   0.190328D+01 -0.867537D+00 -0.212418D+01  0.345046D+01  0.887870D+00
      3  -0.937826D-01 -0.429374D+01 -0.186390D+02  0.117119D+01  0.912365D-01
               161           162           163           164           165 
      1  -0.542226D-01  0.345693D+00 -0.137632D+01  0.118396D+01  0.206942D+01
      2   0.189208D+01  0.283178D-01 -0.301833D+00  0.601484D+00 -0.891776D-01
      3   0.266411D+01 -0.104440D+01 -0.103145D+02  0.726917D+01  0.105240D+01
               166           167           168           169           170 
      1   0.111495D+01 -0.204991D+01 -0.359006D+01  0.718298D+00 -0.155500D+01
      2   0.348872D+00 -0.795257D+00 -0.113101D+00 -0.100432D+01  0.142778D+00
      3   0.824409D+01 -0.104873D+02 -0.592987D+00  0.203602D+01 -0.132609D+01
               171           172           173           174           175 
      1  -0.105506D+00 -0.452871D+00 -0.494214D+00  0.318828D+01  0.366044D+00
      2  -0.211892D+00 -0.429218D+01  0.113963D+01  0.686725D+01 -0.877708D+00
      3  -0.969602D+00  0.169338D+01 -0.185550D+02 -0.207152D+00 -0.102146D+02
               176           177           178           179           180 
      1  -0.227370D+01 -0.328575D+01  0.258868D-01  0.408069D+01 -0.192076D+01
      2  -0.257387D+01 -0.682310D+00  0.236939D+01 -0.196544D+01 -0.326075D+01
      3  -0.838425D+01  0.273497D+01 -0.534448D-01  0.597816D+01  0.160413D+01
               181           182           183           184           185 
      1  -0.254736D+00 -0.984936D-01 -0.570528D-01  0.260684D+00 -0.179086D+00
      2   0.387411D+01 -0.785258D+00 -0.433663D+00 -0.257833D+00  0.257717D+01
      3  -0.122432D+01 -0.113245D+01  0.737312D+00 -0.898943D+00 -0.786132D+00
               186           187           188           189           190 
      1  -0.706395D-01 -0.969348D+00  0.347839D+01 -0.372949D+01  0.134391D+01
      2   0.514109D-01 -0.140018D+01  0.337274D+01  0.223159D+02 -0.249026D+01
      3  -0.243409D+01  0.161050D+01 -0.441161D+01 -0.273411D+01 -0.426186D+01
               191           192           193           194           195 
      1   0.785006D+00 -0.124264D+01  0.103246D+01  0.218623D+01 -0.253512D+01
      2  -0.991573D+00  0.278813D+01 -0.106148D+01 -0.321188D+01  0.358343D+01
      3  -0.572019D+01  0.179299D+00 -0.307152D+01 -0.161223D+02  0.238045D+01
               196           197           198           199           200 
      1  -0.837926D+00 -0.143199D+00  0.473132D+00  0.156152D+01 -0.363878D+00
      2   0.163392D+01  0.302303D+01 -0.836605D+00 -0.108169D+01 -0.194426D+00
      3  -0.378002D+00  0.443986D+01 -0.248552D+01 -0.649807D+00  0.487350D+00
               201           202           203           204           205 
      1   0.200074D+01  0.880311D-01  0.277984D+01 -0.238813D+01 -0.179134D+00
      2  -0.653775D+00 -0.540387D+00 -0.103440D+01  0.853027D+00 -0.234937D+01
      3  -0.147817D+01  0.918246D+00 -0.112324D+01  0.681314D+00 -0.364765D+01
               206           207           208           209           210 
      1  -0.558408D+01  0.191199D+02  0.420989D+00  0.711337D+00 -0.618097D+00
      2   0.251188D+01 -0.574356D+01  0.877603D+00 -0.415080D-01 -0.804293D+00
      3   0.204050D+01 -0.254263D+01  0.721121D+01  0.791434D+01 -0.402016D+00
               211           212           213           214           215 
      1   0.591039D+00  0.226310D+01 -0.255126D+01  0.280915D-01 -0.402961D+00
      2   0.785360D+00  0.364065D+00 -0.329981D+01 -0.878804D+00 -0.197241D+01
      3   0.543948D+01  0.230570D+02 -0.100702D+01 -0.125734D+01 -0.314157D+01
               216 
      1   0.280794D+00
      2  -0.339167D-01
      3   0.206595D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.496936D+01 -0.208967D+01  0.481612D+00  0.578910D+01 -0.166305D+01
      2  -0.546359D+01  0.962255D+01 -0.111807D+01  0.106941D+01 -0.468280D+01
      3   0.494229D+00 -0.753288D+01  0.636460D+00 -0.685851D+01  0.634585D+01
      4   0.530932D+01 -0.121380D+02 -0.139396D+01 -0.153668D+02  0.743999D+01
      5   0.311202D+01 -0.165388D+01 -0.208952D+01 -0.333733D+01  0.155692D+01
      6  -0.115539D+01  0.246689D+01  0.296932D+01  0.279945D+01 -0.330824D+01
                 6             7             8             9            10 
      1   0.575557D+00  0.332180D+01  0.666255D+00  0.676911D+01 -0.183420D+02
      2  -0.188171D+00  0.955119D+00 -0.543987D+01  0.502246D+01  0.893496D+01
      3  -0.387387D+00 -0.427692D+01  0.477362D+01 -0.117916D+02  0.940704D+01
      4   0.231855D+01 -0.436883D+01  0.665455D+01  0.948020D+00 -0.674120D+01
      5   0.257809D+01  0.657329D+00  0.178461D+01 -0.180214D+02 -0.644382D+01
      6  -0.399811D+01  0.851975D+00 -0.635677D+00  0.159375D+02 -0.952719D+00
                11            12            13            14            15 
      1  -0.666902D+01 -0.164355D+01 -0.936026D+01  0.742216D+01  0.111539D+01
      2   0.292604D+01  0.378287D+01  0.611043D+01 -0.381190D+01 -0.774619D+00
      3   0.374298D+01 -0.213931D+01  0.324984D+01 -0.361026D+01 -0.340775D+00
      4  -0.286413D+01 -0.698608D+00  0.629571D+01  0.311346D+01 -0.871658D+00
      5  -0.119642D+01 -0.222755D+01  0.119570D+00 -0.268267D+00 -0.390600D+01
      6  -0.191428D+01 -0.328764D-01 -0.666827D+00 -0.729266D+00  0.153982D+00
                16            17            18            19            20 
      1  -0.112825D+02 -0.190261D+01  0.799896D+01 -0.730328D+01  0.770680D+01
      2   0.549985D+01 -0.583647D+00  0.520342D+01  0.551192D+01 -0.120872D+02
      3   0.578262D+01  0.248626D+01 -0.132024D+02  0.179136D+01  0.438038D+01
      4  -0.121853D+01 -0.155467D+01 -0.135621D+01  0.264499D+01 -0.212688D+01
      5  -0.174996D+00 -0.185922D+01  0.253348D+02  0.180636D+01  0.128057D+01
      6   0.586949D-01 -0.602086D+00  0.992487D+01  0.983594D+00  0.161422D+01
                21            22            23            24            25 
      1  -0.742844D+00  0.447307D+01  0.383278D+01 -0.305117D+01 -0.911920D+00
      2  -0.873225D+00 -0.909361D+01 -0.987675D+01  0.771799D+00  0.312431D+01
      3   0.161607D+01  0.462054D+01  0.604398D+01  0.227937D+01 -0.221239D+01
      4   0.114001D+01 -0.516349D+01 -0.891355D+01 -0.196445D+00  0.301143D+01
      5  -0.784273D+00  0.165777D+01  0.106797D+01 -0.101083D+01  0.204289D+00
      6  -0.174256D+01 -0.935544D-01  0.427528D+01 -0.343899D+01 -0.112905D+01
                26            27            28            29            30 
      1  -0.324731D+01  0.506703D+01 -0.111460D+02 -0.629592D+00 -0.367348D+01
      2   0.756477D+01  0.852438D+01  0.434746D+01 -0.574438D-02  0.202276D+01
      3  -0.431746D+01 -0.135914D+02  0.679851D+01  0.635336D+00  0.165072D+01
      4   0.281925D+01 -0.198466D+00 -0.488910D+01 -0.388606D+00 -0.151439D+01
      5   0.982581D-02 -0.427130D+01 -0.491968D+01 -0.778023D+00 -0.380465D+01
      6   0.144218D+01 -0.198311D+02 -0.229713D+01 -0.380529D-01 -0.237273D+01
                31            32            33            34            35 
      1   0.238362D+00  0.135960D+02 -0.153514D+00 -0.363403D+01  0.102679D-02
      2   0.727315D+00 -0.139470D+02 -0.188541D+01  0.961367D-01 -0.141561D+01
      3  -0.965677D+00  0.351012D+00  0.203892D+01  0.353789D+01  0.141458D+01
      4  -0.356269D+01  0.290962D+00 -0.196154D+01  0.115063D+01 -0.775036D+00
      5   0.169527D+01 -0.160046D+01 -0.487199D+01 -0.201088D+01  0.700117D+00
      6  -0.136762D+00  0.105058D+01 -0.434515D+01 -0.128868D+01  0.171101D+00
                36            37            38            39            40 
      1   0.561404D+01  0.164665D+02 -0.278369D+01 -0.497484D+00 -0.648594D+00
      2   0.622385D+01 -0.112027D+02  0.223261D+01 -0.136956D+01  0.454756D-02
      3  -0.118379D+02 -0.526382D+01  0.551072D+00  0.186705D+01  0.644047D+00
      4   0.110311D+01 -0.877058D+01  0.984859D+01 -0.147266D+01  0.105681D+02
      5   0.245999D+02  0.199220D+01 -0.164403D+00  0.124466D+02 -0.122819D+01
      6   0.386100D+01 -0.749130D+00  0.193526D+01  0.540118D+01  0.333282D-01
                41            42            43            44            45 
      1  -0.106971D+02  0.267533D+01  0.530613D+01  0.348209D+01 -0.343781D+01
      2   0.152354D+02 -0.713304D+00 -0.525273D+01 -0.393487D+01 -0.298228D+01
      3  -0.453832D+01 -0.196203D+01 -0.533981D-01  0.452776D+00  0.642009D+01
      4  -0.186017D+01  0.906283D+00 -0.391593D+01  0.985505D+00 -0.239496D+01
      5   0.447447D+00  0.475528D+01  0.528065D+01 -0.528129D+00  0.896213D+00
      6  -0.302561D+01  0.851332D+01 -0.814522D+00  0.496998D+01  0.416233D+00
                46            47            48            49            50 
      1  -0.156358D+02  0.795748D+01  0.410021D+01 -0.126014D+01  0.593177D+01
      2   0.144478D+02 -0.889622D+01 -0.938433D+00 -0.300494D+01 -0.170240D+02
      3   0.118794D+01  0.938739D+00 -0.316178D+01  0.426508D+01  0.110922D+02
      4   0.507390D+01 -0.440852D+01  0.671462D+00 -0.100081D+02 -0.948128D+01
      5   0.140685D+00  0.933710D-01 -0.832449D+01  0.125040D+01  0.718034D+00
      6   0.122080D-01 -0.243286D+01 -0.478989D+01  0.804872D+00  0.160896D+01
                51            52            53            54            55 
      1  -0.420282D+00  0.136416D+01 -0.498408D+00  0.628721D+01 -0.206536D+02
      2   0.663438D+00  0.787493D+00  0.708264D+01  0.772319D+01  0.158015D+02
      3  -0.243156D+00 -0.215165D+01 -0.658423D+01 -0.140104D+02  0.485203D+01
      4   0.148197D+01  0.319129D+01  0.413240D+00  0.564749D+00  0.453366D+01
      5  -0.337998D+00 -0.199440D+01 -0.102829D+01 -0.132394D+02 -0.682219D+01
      6  -0.311132D+01 -0.728586D+00 -0.909425D+00 -0.261582D+02  0.675315D+01
                56            57            58            59            60 
      1  -0.817330D+00 -0.500426D+01 -0.688866D+01 -0.881030D+01 -0.344791D+01
      2  -0.443100D+01  0.377548D+01 -0.300713D+01  0.249700D+02  0.246688D+01
      3   0.524833D+01  0.122877D+01  0.989579D+01 -0.161597D+02  0.981030D+00
      4   0.159485D+02  0.490510D+01  0.247762D+02 -0.301783D+02 -0.474230D+01
      5   0.175341D+01  0.491194D+01  0.223074D+01 -0.484794D+01 -0.452085D+01
      6  -0.187938D+01 -0.117861D+01 -0.240052D+01  0.673312D+01  0.985839D+01
                61            62            63            64            65 
      1  -0.976612D+01 -0.222577D+01 -0.492956D+01 -0.433047D+00 -0.330476D+00
      2   0.348716D+01  0.665177D+01  0.113783D+01 -0.210899D+01 -0.555688D+00
      3   0.627896D+01 -0.442600D+01  0.379173D+01  0.254203D+01  0.886164D+00
      4   0.128865D+02 -0.112742D+02 -0.598501D+01 -0.460333D+00  0.327718D+01
      5   0.643365D+01 -0.671135D+01 -0.490002D+01  0.276955D+01 -0.650115D+00
      6  -0.352059D+01  0.107119D+02  0.481369D+01 -0.214016D+01 -0.326406D+00
                66            67            68            69            70 
      1   0.263651D+01 -0.305277D+00 -0.249112D+01  0.182665D+01  0.334315D+01
      2  -0.137015D+01 -0.595289D+00  0.617097D+00 -0.256868D+01 -0.229411D+01
      3  -0.126637D+01  0.900566D+00  0.187403D+01  0.742032D+00 -0.104904D+01
      4  -0.227237D+01  0.323910D+01 -0.104423D+01  0.261275D+01 -0.383844D+01
      5   0.581420D+01 -0.656405D-03  0.236318D+01 -0.105282D+00  0.480106D+01
      6   0.613786D+00  0.414717D+00 -0.316282D+01  0.627139D+01 -0.116605D+01
                71            72            73            74            75 
      1   0.283738D+01 -0.140076D+02  0.520059D+02  0.404926D+00  0.441927D+01
      2  -0.275051D+01 -0.127861D+02 -0.324374D+02 -0.166602D+01 -0.526911D+01
      3  -0.868694D-01  0.267937D+02 -0.195685D+02  0.126110D+01  0.849843D+00
      4   0.432502D+01 -0.133948D+01  0.409430D+01  0.299503D+01  0.193790D+01
      5  -0.171209D+01  0.183377D+02  0.926256D+01  0.163210D+01  0.105637D+02
      6   0.522692D+01 -0.172297D+02  0.135545D+01  0.110523D+01  0.377986D+00
                76            77            78            79            80 
      1  -0.125509D+02 -0.451156D+01 -0.143941D+01  0.155019D+02  0.214823D+01
      2   0.426387D+01 -0.145964D+01  0.170468D+01 -0.969814D+01  0.635000D+00
      3   0.828700D+01  0.597120D+01 -0.265268D+00 -0.580380D+01 -0.278323D+01
      4  -0.777828D+01 -0.255041D+02  0.420547D+01  0.562272D+01  0.801028D+01
      5  -0.348045D-02  0.515975D+01 -0.280068D+01  0.140875D+02  0.377664D+00
      6  -0.132606D+00  0.731602D+00  0.284611D+01  0.192968D+01  0.329636D+01
                81            82            83            84            85 
      1   0.494813D+01  0.218656D+01  0.130421D+01 -0.455990D+01  0.128870D+01
      2  -0.820028D+01 -0.371803D+01 -0.934654D+00  0.238414D+01 -0.803019D+00
      3   0.325214D+01  0.153147D+01 -0.369551D+00  0.217576D+01 -0.485676D+00
      4   0.589751D+00  0.105208D+01  0.839928D+00 -0.764587D+00  0.103356D+01
      5   0.580932D+01 -0.390558D+01 -0.219288D+00  0.516860D+01  0.182120D-01
      6   0.141595D+01 -0.773065D+00  0.248311D+00 -0.570746D+00 -0.767716D+00
                86            87            88            89            90 
      1  -0.414938D+01  0.147233D+01 -0.601082D+01  0.117225D+01 -0.140414D+02
      2   0.846492D+00 -0.101013D+01  0.463062D+01 -0.774354D+00 -0.137688D+02
      3   0.330289D+01 -0.462194D+00  0.138020D+01 -0.397901D+00  0.278102D+02
      4  -0.499432D-01 -0.350062D+01 -0.219832D+01 -0.492879D+01  0.111950D+01
      5  -0.375166D+01  0.935944D+00  0.588806D+01  0.187153D+01 -0.261584D+02
      6  -0.172618D+01  0.726802D+01  0.444491D+00  0.496843D+01 -0.794614D+01
                91            92            93            94            95 
      1   0.131682D+01 -0.115314D+01  0.840612D+00 -0.161860D+01 -0.329548D+01
      2  -0.401056D+01  0.153338D+01 -0.195741D+00  0.181184D+01  0.113760D+01
      3   0.269374D+01 -0.380243D+00 -0.644871D+00 -0.193238D+00  0.215788D+01
      4  -0.473100D+00  0.154554D+01  0.224449D+01  0.177757D+01  0.104894D+01
      5   0.841604D+00  0.460407D+00  0.578696D+01 -0.358701D-01  0.681851D+00
      6   0.280727D+01  0.119601D-01 -0.262626D+00  0.275503D+00  0.300171D+01
                96            97            98            99           100 
      1  -0.191865D+01  0.764825D+00 -0.432667D+01 -0.149508D+02  0.988847D+01
      2   0.365381D+01 -0.113156D+01  0.540800D+01 -0.140190D+02 -0.500104D+01
      3  -0.173516D+01  0.366734D+00 -0.108133D+01  0.289699D+02 -0.488743D+01
      4   0.917979D+00  0.337524D+01  0.138715D+01  0.363436D+00  0.174303D+02
      5  -0.315769D+00  0.442566D+01  0.228174D+00  0.494991D+01 -0.187061D+01
      6   0.559368D+01  0.973771D+00  0.519906D+01  0.207447D+02 -0.430273D+01
               101           102           103           104           105 
      1  -0.188156D+02  0.236839D+00 -0.110010D+02 -0.553993D+01  0.473753D+01
      2   0.325382D+02  0.110338D+01  0.205644D+02  0.129890D+02 -0.367860D+01
      3  -0.137226D+02 -0.134022D+01 -0.956347D+01 -0.744911D+01 -0.105893D+01
      4   0.110581D+02 -0.354632D+01  0.113509D+02  0.232393D+02 -0.839767D+00
      5  -0.614525D+00  0.596251D+01 -0.743289D+00 -0.256016D+01  0.203293D+01
      6  -0.105630D+01  0.519340D+01  0.153993D+00 -0.670872D+01  0.813629D+01
               106           107           108           109           110 
      1  -0.619825D+00  0.888476D+01 -0.485537D+01  0.501985D+01  0.282626D+01
      2  -0.269310D+00 -0.133813D+02  0.150384D+01 -0.526909D+01 -0.195059D+01
      3   0.889135D+00  0.449656D+01  0.335152D+01  0.249241D+00 -0.875673D+00
      4  -0.569521D+01 -0.392634D+01  0.465665D+01  0.635700D+01 -0.165075D+02
      5   0.503962D+01  0.267344D+01 -0.108956D+01  0.122057D+02  0.143028D+01
      6   0.546791D+01  0.105811D+02 -0.482868D+01  0.283682D+01  0.216311D+01
               111           112           113           114           115 
      1   0.558119D+01  0.112824D+02 -0.193491D+02  0.181965D+01  0.136806D+02
      2  -0.545688D+01 -0.881172D+01  0.448687D+01  0.331952D+01 -0.425343D+01
      3  -0.124306D+00 -0.247073D+01  0.148623D+02 -0.513918D+01 -0.942720D+01
      4   0.255472D+01 -0.271071D+02 -0.144097D+02  0.657168D+01 -0.248672D+01
      5   0.238602D+00 -0.103021D+01  0.733685D+01  0.109973D+01 -0.389109D+01
      6   0.402411D+01  0.745477D+00  0.123827D+01 -0.325533D+01 -0.346142D+00
               116           117           118           119           120 
      1   0.310956D+00  0.784209D+01  0.348039D+01  0.854481D+00 -0.261727D+01
      2   0.178454D+01  0.962092D+01 -0.457307D+01 -0.670278D+00  0.172978D+01
      3  -0.209549D+01 -0.174630D+02  0.109269D+01 -0.184203D+00  0.887487D+00
      4   0.923626D+01 -0.806311D+01  0.581753D+00  0.119842D+01  0.309490D+00
      5  -0.642597D+01 -0.359682D+02 -0.321303D+01  0.230129D+00  0.701823D+01
      6  -0.825794D+00 -0.301786D+01 -0.277376D+00 -0.893432D-01 -0.332277D+00
               121           122           123           124           125 
      1   0.100586D+01 -0.432236D+01 -0.553166D+00 -0.497673D+01  0.942843D+00
      2  -0.884688D+00  0.139599D+01  0.204106D+00  0.583478D+01 -0.161587D+00
      3  -0.121177D+00  0.292636D+01  0.349060D+00 -0.858050D+00 -0.781257D+00
      4   0.160981D+01  0.332499D+00 -0.213802D+01 -0.309976D+00 -0.296216D+01
      5  -0.689032D+00 -0.307030D+01  0.864344D+00  0.681363D+01  0.537014D+00
      6  -0.650260D+00 -0.400625D+00  0.645788D+01  0.707068D+00  0.419179D+01
               126           127           128           129           130 
      1  -0.139763D+02  0.559659D+01 -0.361360D+01  0.113059D+01 -0.943813D+00
      2  -0.138366D+02  0.263010D+01  0.859888D+01 -0.532042D+00  0.676530D+01
      3   0.278129D+02 -0.822669D+01 -0.498528D+01 -0.598545D+00 -0.582149D+01
      4   0.113266D+00  0.680090D+01  0.144018D+02 -0.272635D+00  0.171531D+02
      5  -0.214784D+02 -0.116801D+01 -0.965305D+00  0.557396D+01 -0.116631D+01
      6  -0.252607D+01 -0.615041D+00 -0.182466D+01  0.399084D+01 -0.324497D+00
               131           132           133           134           135 
      1  -0.293162D+02 -0.688611D+00 -0.206002D+00 -0.671387D+01  0.571657D+01
      2   0.554186D+02  0.141253D+01  0.681980D+00  0.570282D+01 -0.918056D+00
      3  -0.261023D+02 -0.723916D+00 -0.475977D+00  0.101104D+01 -0.479851D+01
      4   0.208802D+02 -0.190064D+00  0.833451D+00  0.167677D+01  0.110651D+01
      5   0.580125D-03  0.684499D+00  0.393571D+01 -0.480966D+00  0.796219D+01
      6  -0.420167D+00  0.669331D+01  0.220690D+01 -0.941336D-01  0.281447D+02
               136           137           138           139           140 
      1   0.475508D+00 -0.721121D+00  0.116124D+01 -0.967104D+00 -0.498334D+01
      2  -0.303367D+01  0.781655D+00 -0.312143D+00  0.131829D+01  0.362555D+01
      3   0.255817D+01 -0.605339D-01 -0.849101D+00 -0.351182D+00  0.135780D+01
      4  -0.211209D+00  0.280659D+01  0.319488D+01  0.213207D+01  0.175631D+01
      5   0.164995D+01  0.100694D+01  0.659844D+01  0.131110D+00  0.115014D+01
      6   0.400401D+01  0.254241D+00  0.823153D+00  0.146086D+00  0.395524D+01
               141           142           143           144           145 
      1  -0.207775D+01  0.727103D+00 -0.659349D+01 -0.169260D+02  0.424555D+02
      2   0.356654D+01 -0.721965D+00  0.474211D+01 -0.106970D+02 -0.200088D+02
      3  -0.148880D+01 -0.513813D-02  0.185138D+01  0.276229D+02 -0.224467D+02
      4   0.990696D+00  0.440153D+01  0.326635D+01  0.116305D+01 -0.308280D+02
      5  -0.846569D-01  0.492947D+01  0.209862D+01  0.104877D+02  0.186329D+01
      6   0.677472D+01  0.157232D+01  0.903417D+01  0.256961D+02 -0.329328D+01
               146           147           148           149           150 
      1  -0.381653D+01  0.393556D+01  0.262911D+01  0.199240D+01  0.611014D+00
      2  -0.266370D+01 -0.162102D+01 -0.353491D+01  0.593488D+00 -0.802220D+00
      3   0.648023D+01 -0.231454D+01  0.905801D+00 -0.258589D+01  0.191206D+00
      4   0.121347D+02 -0.188723D+01  0.380343D+01 -0.215657D+01  0.859671D+00
      5   0.165243D+00  0.584305D+01  0.912969D-01  0.956786D+00 -0.547923D+00
      6  -0.382048D+00 -0.434798D+01 -0.155453D+00 -0.676242D+00  0.365930D+00
               151           152           153           154           155 
      1   0.736548D+01 -0.806922D-01  0.352421D+01  0.138794D+02  0.891036D+01
      2  -0.367119D+01 -0.117045D+01 -0.286395D+01 -0.416535D+01 -0.145708D+01
      3  -0.369429D+01  0.125114D+01 -0.660256D+00 -0.971408D+01 -0.745328D+01
      4  -0.588105D+01  0.260073D+01 -0.356459D+01  0.133976D+02  0.149879D+02
      5   0.670636D+01 -0.143132D+01  0.127659D+01 -0.500271D+00 -0.157399D+00
      6  -0.371486D+01  0.200408D+01 -0.400900D+00  0.639381D-01  0.659843D+00
               156           157           158           159           160 
      1  -0.100989D+01  0.188294D+02  0.897835D+01  0.302449D+00 -0.335279D+01
      2   0.217806D+00 -0.500029D+01  0.607051D+01 -0.123596D+01  0.142005D+01
      3   0.792086D+00 -0.138291D+02 -0.150489D+02  0.933508D+00  0.193274D+01
      4  -0.504630D+00  0.241579D+02  0.341968D+02 -0.130982D+01 -0.295150D+01
      5   0.349933D+01  0.476484D+00 -0.171733D+01  0.560620D+01  0.510871D+01
      6   0.134319D+01  0.106813D+01  0.100241D+01  0.254969D+01  0.216550D+01
               161           162           163           164           165 
      1  -0.115800D+01  0.146624D+01 -0.542451D+01  0.147673D+02  0.262736D-01
      2  -0.597603D+00 -0.108355D+01  0.916818D+01 -0.235824D+02 -0.557121D+00
      3   0.175560D+01 -0.382687D+00 -0.374367D+01  0.881513D+01  0.530847D+00
      4  -0.415248D+01  0.424919D+01 -0.814156D+01  0.685154D+01  0.974551D+00
      5   0.410812D+01  0.893697D-01  0.483198D+00 -0.669092D+00 -0.507067D+00
      6   0.322542D+01 -0.413452D+00  0.123429D+01 -0.565751D-01 -0.278943D+01
               166           167           168           169           170 
      1   0.756857D+01 -0.249043D+02 -0.596031D+00  0.790894D+00 -0.333414D+01
      2  -0.113567D+02  0.419948D+02  0.160658D+01 -0.129733D+01  0.508825D+01
      3   0.378810D+01 -0.170904D+02 -0.101055D+01  0.506437D+00 -0.175410D+01
      4   0.791506D+01 -0.567159D+01 -0.342589D+00  0.140242D+01 -0.490040D+00
      5  -0.554100D+00  0.793554D+00  0.408767D+00  0.104619D+01  0.121249D-01
      6  -0.557742D+00  0.877709D+00  0.565330D+01 -0.164683D+01  0.645860D+01
               171           172           173           174           175 
      1  -0.385903D+01  0.595126D+02 -0.854112D+01 -0.694072D+01 -0.921165D+01
      2   0.380792D+01 -0.313325D+02 -0.191499D+01  0.609332D+01  0.100854D+01
      3   0.511054D-01 -0.281801D+02  0.104561D+02  0.847400D+00  0.820311D+01
      4  -0.986502D+00 -0.226688D+02  0.284267D+02  0.113405D+01  0.287561D+02
      5  -0.481421D+00 -0.100253D+02  0.477263D+00  0.134252D+02  0.117525D+01
      6   0.172437D+00  0.866531D+00 -0.614620D+00 -0.423330D+01 -0.501138D+00
               176           177           178           179           180 
      1   0.249312D+02 -0.334868D+01 -0.152029D+02  0.128510D+01  0.722800D+01
      2  -0.149107D+02  0.717818D+00  0.844898D+01  0.154292D+01 -0.972637D+01
      3  -0.100204D+02  0.263087D+01  0.675397D+01 -0.282802D+01  0.249837D+01
      4   0.263260D+01 -0.493162D+01  0.680353D+01 -0.101843D+02 -0.508169D+01
      5  -0.614876D+01 -0.950100D+00  0.177298D+02 -0.535262D+01 -0.674332D+01
      6   0.247734D+01  0.692544D+01 -0.362441D+01  0.485320D+01  0.336861D+01
               181           182           183           184           185 
      1  -0.130985D+01  0.137804D+01  0.752850D+01 -0.177617D+01  0.312732D+00
      2  -0.179949D+01 -0.429511D+00 -0.346157D+01  0.156322D+01 -0.134677D+01
      3   0.310934D+01 -0.948530D+00 -0.406693D+01  0.212942D+00  0.103404D+01
      4   0.119614D+01  0.291490D+01 -0.206515D+00  0.527389D+01  0.250385D+01
      5   0.629841D+01 -0.267381D+00  0.409968D+01 -0.243408D+00  0.498065D+01
      6  -0.239349D-01 -0.604175D+00 -0.263797D+00  0.701775D+00  0.738175D+00
               186           187           188           189           190 
      1  -0.110800D+01  0.108615D+02 -0.386452D+01 -0.122267D+02  0.175822D+02
      2   0.472302D+00 -0.882836D+01  0.154880D+00 -0.169755D+02 -0.607899D+01
      3   0.635696D+00 -0.203319D+01  0.370964D+01  0.292023D+02 -0.115032D+02
      4   0.506991D+01  0.906837D-01  0.791504D+01  0.746629D+01  0.157038D+02
      5  -0.269939D+00  0.123718D+02  0.588148D+01  0.445404D+02 -0.423758D+01
      6   0.536037D+01  0.838314D+00  0.540829D+01  0.407453D+01 -0.962250D+00
               191           192           193           194           195 
      1   0.111742D+02 -0.419651D+01  0.166233D+02  0.774721D+01 -0.447385D+00
      2  -0.326910D+01  0.143001D+01 -0.530793D+01  0.613775D+01 -0.132226D+01
      3  -0.790507D+01  0.276651D+01 -0.113154D+02 -0.138850D+02  0.176965D+01
      4   0.170749D+02 -0.182981D+01  0.212152D+02  0.345173D+02 -0.483443D+01
      5  -0.126824D+01  0.492916D+01 -0.117973D+01 -0.447110D+01  0.631590D+01
      6  -0.348950D+00  0.151377D+01 -0.279989D+00 -0.157947D+01  0.332033D+01
               196           197           198           199           200 
      1  -0.848319D+01 -0.117724D+01  0.188107D+01 -0.138167D+01  0.240990D+01
      2   0.389527D+01 -0.717171D+00 -0.218596D+01  0.873785D+00 -0.219683D+01
      3   0.458792D+01  0.189442D+01  0.304894D+00  0.507886D+00 -0.213070D+00
      4  -0.346942D+01 -0.867981D+01  0.653636D+01  0.617095D+00  0.305455D+01
      5   0.657284D+01  0.666320D+01 -0.178509D+01 -0.463745D+00 -0.946629D+00
      6   0.198931D+01  0.372690D+01 -0.200315D+01 -0.284236D+01  0.145833D+01
               201           202           203           204           205 
      1  -0.225750D+01  0.780302D+00 -0.501198D+01  0.270247D+01 -0.179261D+01
      2   0.113546D+01 -0.484754D+00  0.712069D+01 -0.490150D+01  0.753371D-01
      3   0.112204D+01 -0.295547D+00 -0.210871D+01  0.219903D+01  0.171728D+01
      4  -0.300743D+01  0.216599D+01  0.108149D+01 -0.997326D+00 -0.591478D+01
      5   0.115362D+01 -0.202312D+00 -0.101903D+01  0.115910D+01  0.216225D+01
      6  -0.364425D+01 -0.129051D+00 -0.526555D+01  0.591641D+01  0.147809D+00
               206           207           208           209           210 
      1   0.118293D+02 -0.149954D+02 -0.923836D+01 -0.788911D+01  0.149499D+01
      2  -0.128585D+02  0.459082D+01  0.650367D+01  0.756575D+01 -0.814932D+00
      3   0.102920D+01  0.104046D+02  0.273469D+01  0.323369D+00 -0.680059D+00
      4  -0.470190D+01  0.231379D+01 -0.241076D+00 -0.805366D+01 -0.105419D+00
      5   0.388288D+01 -0.961832D+01  0.146682D+01  0.611074D+00 -0.168034D+01
      6   0.165723D+02 -0.340701D+02 -0.532689D+00 -0.349746D+00  0.310332D+00
               211           212           213           214           215 
      1  -0.148881D+02 -0.142843D+02  0.168545D+01  0.299679D+01  0.183578D+01
      2   0.850170D+01  0.215898D+02 -0.202568D+01 -0.173396D+01 -0.229891D+01
      3   0.638643D+01 -0.730549D+01  0.340236D+00 -0.126283D+01  0.463133D+00
      4   0.373848D+01 -0.323963D+02  0.124373D+01 -0.520771D+00  0.433964D+01
      5   0.156780D+01  0.224130D+01 -0.671878D+01  0.185250D+01 -0.393089D+01
      6  -0.247171D-01 -0.109741D+01  0.310613D+01 -0.607218D-02  0.390299D+01
               216 
      1  -0.188055D+01
      2   0.940886D+00
      3   0.939664D+00
      4  -0.332366D+01
      5  -0.206692D+00
      6  -0.554913D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:44:38 2021, MaxMem=  5368709120 cpu:           25588.8 elap:            3200.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30336 -19.30188 -19.29477 -19.28955 -19.28167
 Alpha  occ. eigenvalues --  -19.26645 -10.42344 -10.37207 -10.37012 -10.36867
 Alpha  occ. eigenvalues --  -10.36818 -10.34858  -1.19828  -1.15516  -1.14448
 Alpha  occ. eigenvalues --   -1.12893  -1.12160  -1.11118  -0.90040  -0.88093
 Alpha  occ. eigenvalues --   -0.79399  -0.75973  -0.72770  -0.70816  -0.66852
 Alpha  occ. eigenvalues --   -0.65678  -0.62858  -0.61152  -0.60118  -0.59605
 Alpha  occ. eigenvalues --   -0.57546  -0.55457  -0.54974  -0.52276  -0.51652
 Alpha  occ. eigenvalues --   -0.49742  -0.48701  -0.48135  -0.46736  -0.45475
 Alpha  occ. eigenvalues --   -0.44908  -0.42594  -0.41757  -0.40248  -0.38929
 Alpha  occ. eigenvalues --   -0.37835  -0.36880  -0.36541
 Alpha virt. eigenvalues --    0.06442   0.07420   0.08637   0.09130   0.11115
 Alpha virt. eigenvalues --    0.11599   0.12095   0.13134   0.13579   0.14593
 Alpha virt. eigenvalues --    0.16052   0.16583   0.17023   0.17364   0.17663
 Alpha virt. eigenvalues --    0.17922   0.18243   0.19363   0.20463   0.20610
 Alpha virt. eigenvalues --    0.21119   0.21674   0.22231   0.23005   0.23370
 Alpha virt. eigenvalues --    0.23900   0.24189   0.24880   0.25589   0.25870
 Alpha virt. eigenvalues --    0.26528   0.27450   0.28158   0.29181   0.29607
 Alpha virt. eigenvalues --    0.30274   0.31229   0.31514   0.32006   0.32761
 Alpha virt. eigenvalues --    0.33067   0.33496   0.33685   0.34561   0.34941
 Alpha virt. eigenvalues --    0.35432   0.35942   0.36287   0.36929   0.37514
 Alpha virt. eigenvalues --    0.38072   0.38577   0.39484   0.39754   0.40290
 Alpha virt. eigenvalues --    0.40920   0.41303   0.41689   0.42068   0.42617
 Alpha virt. eigenvalues --    0.42879   0.42984   0.43453   0.44055   0.44464
 Alpha virt. eigenvalues --    0.45644   0.46668   0.47341   0.48049   0.48408
 Alpha virt. eigenvalues --    0.48584   0.48932   0.49539   0.50081   0.50405
 Alpha virt. eigenvalues --    0.51155   0.52242   0.53301   0.53702   0.54433
 Alpha virt. eigenvalues --    0.54701   0.55299   0.55942   0.56293   0.57279
 Alpha virt. eigenvalues --    0.57853   0.58424   0.58814   0.59234   0.60058
 Alpha virt. eigenvalues --    0.60265   0.60908   0.61673   0.62081   0.62619
 Alpha virt. eigenvalues --    0.63259   0.63676   0.64085   0.64221   0.64911
 Alpha virt. eigenvalues --    0.65541   0.65708   0.66661   0.67215   0.67789
 Alpha virt. eigenvalues --    0.68588   0.68698   0.69587   0.69912   0.70347
 Alpha virt. eigenvalues --    0.70457   0.71767   0.72441   0.72579   0.73710
 Alpha virt. eigenvalues --    0.74088   0.74911   0.75121   0.75981   0.76643
 Alpha virt. eigenvalues --    0.78151   0.79211   0.79508   0.80149   0.81061
 Alpha virt. eigenvalues --    0.81777   0.83209   0.83798   0.84669   0.85095
 Alpha virt. eigenvalues --    0.85157   0.86300   0.86700   0.87091   0.87819
 Alpha virt. eigenvalues --    0.89470   0.90026   0.90804   0.91767   0.91886
 Alpha virt. eigenvalues --    0.93135   0.94405   0.95283   0.96566   0.97835
 Alpha virt. eigenvalues --    0.98741   1.00583   1.01978   1.02887   1.04589
 Alpha virt. eigenvalues --    1.05966   1.08413   1.09789   1.10519   1.11532
 Alpha virt. eigenvalues --    1.13717   1.15271   1.16040   1.16616   1.18059
 Alpha virt. eigenvalues --    1.19056   1.19934   1.21471   1.22867   1.23626
 Alpha virt. eigenvalues --    1.24979   1.27316   1.28431   1.29228   1.30892
 Alpha virt. eigenvalues --    1.32451   1.34005   1.35484   1.37911   1.39881
 Alpha virt. eigenvalues --    1.43099   1.44032   1.45941   1.46778   1.48076
 Alpha virt. eigenvalues --    1.50683   1.53202   1.55920   1.58315   1.59843
 Alpha virt. eigenvalues --    1.61095   1.62521   1.63413   1.64576   1.65914
 Alpha virt. eigenvalues --    1.67053   1.68502   1.71473   1.72176   1.73446
 Alpha virt. eigenvalues --    1.75213   1.76668   1.78548   1.79743   1.81338
 Alpha virt. eigenvalues --    1.81554   1.83502   1.85478   1.88387   1.90285
 Alpha virt. eigenvalues --    1.91485   1.91780   1.93884   1.95288   1.97637
 Alpha virt. eigenvalues --    1.98298   1.99372   2.00850   2.02120   2.02848
 Alpha virt. eigenvalues --    2.04980   2.05688   2.07156   2.07768   2.08278
 Alpha virt. eigenvalues --    2.10123   2.11488   2.12835   2.13654   2.15013
 Alpha virt. eigenvalues --    2.16174   2.18056   2.18825   2.19187   2.20761
 Alpha virt. eigenvalues --    2.21432   2.23648   2.25580   2.26499   2.28172
 Alpha virt. eigenvalues --    2.29247   2.30089   2.30405   2.32675   2.33077
 Alpha virt. eigenvalues --    2.34911   2.35899   2.37170   2.37936   2.41182
 Alpha virt. eigenvalues --    2.41570   2.42740   2.42865   2.44113   2.44456
 Alpha virt. eigenvalues --    2.45908   2.47814   2.47879   2.49407   2.50203
 Alpha virt. eigenvalues --    2.53848   2.55015   2.57590   2.59035   2.62686
 Alpha virt. eigenvalues --    2.64663   2.66156   2.71517   2.73170   2.76445
 Alpha virt. eigenvalues --    2.78393   2.81545   2.89681   2.96679   2.98332
 Alpha virt. eigenvalues --    3.02522   3.07445   3.08201   3.09615   3.11889
 Alpha virt. eigenvalues --    3.12112   3.13170   3.14083   3.14874   3.16169
 Alpha virt. eigenvalues --    3.17591   3.18291   3.20264   3.21260   3.23496
 Alpha virt. eigenvalues --    3.25345   3.26345   3.27627   3.29581   3.31021
 Alpha virt. eigenvalues --    3.32822   3.34177   3.37420   3.40964   3.58706
 Alpha virt. eigenvalues --    3.62961   3.63557   3.67510   3.68068   3.76248
 Alpha virt. eigenvalues --    3.87229   4.01226   4.05003   4.06262   4.06396
 Alpha virt. eigenvalues --    4.08528
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.995441  -0.071034  -0.142784  -0.174526  -0.013054  -0.095723
     2  C   -0.071034   6.196023  -0.087169  -0.014631  -0.164170  -0.166755
     3  C   -0.142784  -0.087169   6.004038   0.098831  -0.206998  -0.074586
     4  C   -0.174526  -0.014631   0.098831   6.378186  -0.479214   0.082493
     5  O   -0.013054  -0.164170  -0.206998  -0.479214  10.172541  -0.729304
     6  C   -0.095723  -0.166755  -0.074586   0.082493  -0.729304   5.895342
     7  O   -0.018353  -0.120106  -0.139954   0.027621   0.040349   0.009449
     8  H    0.369260  -0.056985   0.040143  -0.114630   0.047982  -0.049448
     9  O   -0.132611  -0.080106  -0.000656  -0.009698   0.107373  -0.119168
    10  H    0.134939   0.362851  -0.071587  -0.005443  -0.114324   0.159851
    11  H    0.075497  -0.034914   0.328481   0.007719  -0.108114   0.041575
    12  O   -0.071608  -0.004963  -0.109534  -0.129181   0.053939   0.007781
    13  C    0.010064  -0.015416  -0.147315   0.095540   0.004771   0.028410
    14  H   -0.030471  -0.000623   0.174778   0.329956  -0.042328  -0.042596
    15  O    0.028835  -0.005222  -0.010816  -0.027757   0.036284  -0.217322
    16  H   -0.050596   0.113982  -0.001838   0.053349  -0.114971   0.430239
    17  H    0.043023  -0.018539   0.046048   0.005115  -0.005907   0.009826
    18  H    0.047378   0.035304   0.004093   0.001659   0.003292  -0.016706
    19  H   -0.041859   0.004619   0.095711   0.044540   0.000197  -0.001368
    20  O   -0.002184  -0.007701   0.002459  -0.073277   0.001025   0.018405
    21  H   -0.001186   0.004565  -0.025751   0.103552   0.005324  -0.006436
    22  H    0.015235   0.000884  -0.034348  -0.005764   0.031736  -0.001923
    23  H   -0.001367  -0.017286   0.001001  -0.010393   0.029525   0.090989
    24  H    0.000654   0.000720   0.012814  -0.017981   0.042418  -0.006867
               7          8          9         10         11         12
     1  C   -0.018353   0.369260  -0.132611   0.134939   0.075497  -0.071608
     2  C   -0.120106  -0.056985  -0.080106   0.362851  -0.034914  -0.004963
     3  C   -0.139954   0.040143  -0.000656  -0.071587   0.328481  -0.109534
     4  C    0.027621  -0.114630  -0.009698  -0.005443   0.007719  -0.129181
     5  O    0.040349   0.047982   0.107373  -0.114324  -0.108114   0.053939
     6  C    0.009449  -0.049448  -0.119168   0.159851   0.041575   0.007781
     7  O    8.308094  -0.022547   0.062042  -0.048411  -0.097429   0.045700
     8  H   -0.022547   0.835475  -0.057728   0.013862   0.045801  -0.033614
     9  O    0.062042  -0.057728   8.396460  -0.094570   0.000019   0.008643
    10  H   -0.048411   0.013862  -0.094570   0.825495  -0.003804   0.002702
    11  H   -0.097429   0.045801   0.000019  -0.003804   0.942452  -0.087161
    12  O    0.045700  -0.033614   0.008643   0.002702  -0.087161   8.350854
    13  C    0.007520   0.002008   0.002537   0.001402  -0.031849   0.066903
    14  H    0.004543  -0.016082   0.003654  -0.002493   0.038114  -0.075381
    15  O   -0.001308   0.006921  -0.003197  -0.022759  -0.004766  -0.000654
    16  H    0.002852  -0.033146  -0.057920   0.017321   0.000201   0.001598
    17  H    0.198564   0.003493  -0.001961   0.002023   0.006508  -0.000662
    18  H   -0.001826   0.005504   0.201988  -0.005998   0.000091  -0.000411
    19  H    0.008804  -0.007608   0.000874   0.000192  -0.005304   0.171451
    20  O    0.000183   0.000795   0.000562  -0.000416   0.000357   0.006173
    21  H    0.001631  -0.000583  -0.000113   0.000045  -0.021359  -0.005653
    22  H    0.000461   0.001035  -0.000057   0.000231   0.002375   0.032408
    23  H    0.000714   0.001181   0.008719  -0.013845   0.000660   0.000164
    24  H   -0.000106  -0.000114   0.000030   0.000081   0.001289   0.000559
              13         14         15         16         17         18
     1  C    0.010064  -0.030471   0.028835  -0.050596   0.043023   0.047378
     2  C   -0.015416  -0.000623  -0.005222   0.113982  -0.018539   0.035304
     3  C   -0.147315   0.174778  -0.010816  -0.001838   0.046048   0.004093
     4  C    0.095540   0.329956  -0.027757   0.053349   0.005115   0.001659
     5  O    0.004771  -0.042328   0.036284  -0.114971  -0.005907   0.003292
     6  C    0.028410  -0.042596  -0.217322   0.430239   0.009826  -0.016706
     7  O    0.007520   0.004543  -0.001308   0.002852   0.198564  -0.001826
     8  H    0.002008  -0.016082   0.006921  -0.033146   0.003493   0.005504
     9  O    0.002537   0.003654  -0.003197  -0.057920  -0.001961   0.201988
    10  H    0.001402  -0.002493  -0.022759   0.017321   0.002023  -0.005998
    11  H   -0.031849   0.038114  -0.004766   0.000201   0.006508   0.000091
    12  O    0.066903  -0.075381  -0.000654   0.001598  -0.000662  -0.000411
    13  C    4.449336  -0.089652  -0.003697   0.005043  -0.000141  -0.000037
    14  H   -0.089652   0.834821  -0.007242   0.003516  -0.000320   0.000290
    15  O   -0.003697  -0.007242   8.711213  -0.113037  -0.000334   0.000538
    16  H    0.005043   0.003516  -0.113037   0.973699   0.000452  -0.002715
    17  H   -0.000141  -0.000320  -0.000334   0.000452   0.557598   0.000360
    18  H   -0.000037   0.000290   0.000538  -0.002715   0.000360   0.560201
    19  H   -0.003992   0.003833   0.000016  -0.000005  -0.001021  -0.000028
    20  O    0.102975  -0.022794  -0.001490   0.002003   0.000003   0.000000
    21  H    0.299068   0.013464  -0.000142   0.000819  -0.000017   0.000010
    22  H    0.295844  -0.023379   0.000211   0.000462  -0.000010  -0.000001
    23  H    0.001099  -0.000453   0.079585   0.011696  -0.000010   0.001218
    24  H    0.008656   0.008580  -0.003734   0.003940   0.000000  -0.000002
              19         20         21         22         23         24
     1  C   -0.041859  -0.002184  -0.001186   0.015235  -0.001367   0.000654
     2  C    0.004619  -0.007701   0.004565   0.000884  -0.017286   0.000720
     3  C    0.095711   0.002459  -0.025751  -0.034348   0.001001   0.012814
     4  C    0.044540  -0.073277   0.103552  -0.005764  -0.010393  -0.017981
     5  O    0.000197   0.001025   0.005324   0.031736   0.029525   0.042418
     6  C   -0.001368   0.018405  -0.006436  -0.001923   0.090989  -0.006867
     7  O    0.008804   0.000183   0.001631   0.000461   0.000714  -0.000106
     8  H   -0.007608   0.000795  -0.000583   0.001035   0.001181  -0.000114
     9  O    0.000874   0.000562  -0.000113  -0.000057   0.008719   0.000030
    10  H    0.000192  -0.000416   0.000045   0.000231  -0.013845   0.000081
    11  H   -0.005304   0.000357  -0.021359   0.002375   0.000660   0.001289
    12  O    0.171451   0.006173  -0.005653   0.032408   0.000164   0.000559
    13  C   -0.003992   0.102975   0.299068   0.295844   0.001099   0.008656
    14  H    0.003833  -0.022794   0.013464  -0.023379  -0.000453   0.008580
    15  O    0.000016  -0.001490  -0.000142   0.000211   0.079585  -0.003734
    16  H   -0.000005   0.002003   0.000819   0.000462   0.011696   0.003940
    17  H   -0.001021   0.000003  -0.000017  -0.000010  -0.000010   0.000000
    18  H   -0.000028   0.000000   0.000010  -0.000001   0.001218  -0.000002
    19  H    0.605442  -0.000481   0.002200  -0.003316   0.000007  -0.000109
    20  O   -0.000481   8.157811  -0.019278  -0.031516   0.000514   0.261395
    21  H    0.002200  -0.019278   0.779776  -0.048310   0.000259  -0.002239
    22  H   -0.003316  -0.031516  -0.048310   0.864153   0.000028   0.011063
    23  H    0.000007   0.000514   0.000259   0.000028   0.612808   0.000223
    24  H   -0.000109   0.261395  -0.002239   0.011063   0.000223   0.469670
 Mulliken charges:
               1
     1  C    0.127030
     2  C    0.146672
     3  C    0.244939
     4  C   -0.166068
     5  O   -0.598371
     6  C    0.753843
     7  O   -0.268486
     8  H    0.019024
     9  O   -0.235119
    10  H   -0.137346
    11  H   -0.096441
    12  O   -0.230052
    13  C    0.910920
    14  H   -0.061735
    15  O   -0.440128
    16  H   -0.246948
    17  H    0.155910
    18  H    0.165796
    19  H    0.127204
    20  O   -0.395522
    21  H   -0.079645
    22  H   -0.107501
    23  H    0.202963
    24  H    0.209060
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.146054
     2  C    0.009326
     3  C    0.148498
     4  C   -0.227803
     5  O   -0.598371
     6  C    0.506895
     7  O   -0.112577
     9  O   -0.069323
    12  O   -0.102848
    13  C    0.723775
    15  O   -0.237165
    20  O   -0.186462
 Electronic spatial extent (au):  <R**2>=           2203.7532
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.9126    Y=             -0.5771    Z=              1.4716  Tot=              3.3139
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.6654   YY=            -72.5318   ZZ=            -69.4579
   XY=              1.3717   XZ=              1.4885   YZ=             -3.6594
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.4471   YY=              1.6866   ZZ=              4.7605
   XY=              1.3717   XZ=              1.4885   YZ=             -3.6594
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -63.5407  YYY=              3.8792  ZZZ=              2.9523  XYY=             -7.0362
  XXY=              0.6666  XXZ=             11.7168  XZZ=             -2.4390  YZZ=             -9.5794
  YYZ=              9.9283  XYZ=              7.2718
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1671.6666 YYYY=           -982.3857 ZZZZ=           -139.5079 XXXY=             37.7636
 XXXZ=             16.6980 YYYX=            -36.5282 YYYZ=            -36.7402 ZZZX=             -1.4212
 ZZZY=             -9.2616 XXYY=           -380.1848 XXZZ=           -287.5474 YYZZ=           -178.3941
 XXYZ=            -15.2847 YYXZ=              1.6630 ZZXY=              6.9378
 N-N= 8.260417754139D+02 E-N=-3.260152661588D+03  KE= 6.800780464547D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:44:39 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.13012779D+00-2.43535518D-01 5.71690121D-01
 Polarizability= 1.02820655D+02 2.08616172D+00 9.78110719D+01
                 2.63270382D-01-3.38801094D-01 7.81635240D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1616   -0.1612        0.6835    0.6840
 2      0.1616    0.1612        0.2054    0.2050       -2.5502   -2.5491
 3     -0.6835   -0.6840       12.1857   12.1800       -0.2031   -0.2050
 4     -0.2054   -0.2050        0.0000    0.0000       -0.6829   -0.6840
 5     -9.6355   -9.6309        0.6829    0.6840       -0.1619   -0.1612
 6      0.2031    0.2050        0.1619    0.1612        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.4837    0.4837        2.0519    2.0519
 2     -0.6149   -0.6149       -0.0000    0.0000        2.0519    2.0519
 3     -0.6149   -0.6149        0.4837    0.4837       -0.0000    0.0000
 4      0.4837    0.4837        0.6149    0.6149       -7.6472   -7.6472
 5     -2.0519   -2.0519       36.5399   36.5399       -0.6149   -0.6149
 6    -28.8928  -28.8928        2.0519    2.0519       -0.4837   -0.4837
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0322    0.0000        0.7029    0.6450       -3.0238   -2.7359
 2     -0.6199   -0.6450       -0.8440   -0.8198        9.8314   10.1962
 3      2.7715    2.7359      -48.6643  -48.7199        0.9039    0.8198
 4      0.9249    0.8198        0.0812    0.0000        2.6336    2.7359
 5     38.5331   38.5237       -2.5174   -2.7359        0.6582    0.6450
 6     -0.7464   -0.8198       -0.6813   -0.6450       -0.0379    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0540    0.0000        9.5031    9.4953        6.0766    6.2067
 2     -9.5023   -9.4953       -5.5721   -5.6859       -1.9882   -2.0265
 3     -6.2891   -6.2067       -7.1556   -6.6942        5.8036    5.6859
 4      5.7382    5.6859       -0.1458    0.0000       -6.1777   -6.2067
 5      8.7821    8.7208        6.0503    6.2067        8.7520    9.4953
 6     -5.6687   -5.6859       -9.3417   -9.4953        0.0730    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.8257  -20.9207        2.9956    2.9229       -9.2797   -9.5620
 2    -19.1646  -19.2118       14.1706   14.4580       -9.3929   -9.5620
 3    -19.0856  -19.2118        2.7289    2.9229      -13.0249  -13.2778
 4    -11.5430  -11.5351       -1.5781   -1.7089       -7.3771   -7.3118
 5     -3.5718   -3.7158      -12.4041  -11.8352        1.9510    1.7089
 6     19.2590   19.1470        3.6048    3.7158       10.0963   11.5351
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.5076   -4.8705    0.0005    0.0008    0.0010    0.5232
 Low frequencies ---   70.9509  103.5575  117.2838
 Diagonal vibrational polarizability:
       69.7503613      44.7150144      59.1676933
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.9504               103.5561               117.2834
 Red. masses --      6.9694                 4.8288                 5.6334
 Frc consts  --      0.0207                 0.0305                 0.0457
 IR Inten    --      0.1918                 4.6923                 0.8313
 RamAct Fr= 1--      0.0144                 0.0403                 0.0548
  Dep-P Fr= 1--      0.7483                 0.7024                 0.6261
  Dep-U Fr= 1--      0.8560                 0.8252                 0.7701
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0020                 0.0055                 0.0070
 AlphaG Fr= 1--      0.0000                 0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0318                -0.0823                -0.0082
 Delta2 Fr= 1--     -0.0063                -0.0129                -0.0104
 Raman1 Fr= 1--       0.057                  0.161                  0.219
 ROA1   Fr= 1--      -3.255                 -8.308                 -1.123
 CID1   Fr= 1--     -56.658                -51.547                 -5.117
 Raman2 Fr= 1--       0.025                  0.067                  0.084
 ROA2   Fr= 1--      -0.713                 -1.871                 -0.115
 CID2   Fr= 1--     -28.984                -28.139                 -1.356
 Raman3 Fr= 1--       0.049                  0.133                  0.169
 ROA3   Fr= 1--      -3.255                 -8.308                 -1.123
 CID3   Fr= 1--     -66.187                -62.465                 -6.644
 RC180  Fr= 1--       0.712                  0.650                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.03    -0.02   0.03   0.06     0.01  -0.01  -0.07
     2   6     0.03  -0.01   0.08    -0.00  -0.02  -0.06     0.05   0.01   0.03
     3   6     0.01   0.03  -0.12     0.01   0.05  -0.03    -0.02   0.01   0.03
     4   6     0.03   0.01  -0.06    -0.01   0.05  -0.04     0.01   0.08  -0.08
     5   8     0.00  -0.00  -0.13     0.02   0.08   0.08     0.06   0.04  -0.14
     6   6    -0.01   0.05  -0.11     0.06   0.01   0.02     0.03   0.02  -0.04
     7   8     0.02  -0.01   0.11    -0.01  -0.05   0.25    -0.05   0.01  -0.23
     8   1    -0.15  -0.01   0.03    -0.11   0.15   0.07     0.09  -0.10  -0.08
     9   8    -0.05  -0.00   0.28     0.06  -0.03  -0.21    -0.00  -0.04   0.18
    10   1     0.21  -0.04   0.08    -0.12  -0.06  -0.06     0.16   0.05   0.03
    11   1     0.09   0.14  -0.12     0.08   0.08  -0.03    -0.07  -0.15   0.04
    12   8    -0.03  -0.02  -0.28    -0.04   0.04  -0.09    -0.04   0.11   0.25
    13   6    -0.03   0.01   0.11     0.03   0.04  -0.14     0.03   0.01  -0.10
    14   1     0.13   0.03  -0.06    -0.09  -0.03  -0.04    -0.03   0.15  -0.08
    15   8     0.01  -0.01  -0.26     0.09   0.01   0.04     0.10   0.01   0.01
    16   1    -0.06   0.18  -0.12     0.12  -0.02   0.02    -0.06   0.00  -0.03
    17   1    -0.01  -0.03   0.23    -0.01   0.03   0.20    -0.04  -0.10  -0.19
    18   1     0.03  -0.04   0.21     0.03  -0.02  -0.22     0.05  -0.04   0.22
    19   1     0.02   0.02  -0.22    -0.01   0.06   0.00    -0.12   0.03   0.22
    20   8     0.02  -0.04   0.31    -0.14  -0.21   0.10    -0.15  -0.22   0.10
    21   1    -0.18   0.09   0.11     0.10   0.35  -0.14     0.04   0.23  -0.10
    22   1     0.03  -0.02   0.11     0.13  -0.10  -0.43     0.17  -0.12  -0.29
    23   1     0.09  -0.14  -0.28    -0.03   0.06   0.06     0.21   0.03  -0.00
    24   1    -0.05  -0.01   0.26    -0.32  -0.08   0.25    -0.39  -0.09   0.12
                      4                      5                      6
                      A                      A                      A
 Frequencies --    147.7520               189.1491               234.1075
 Red. masses --      5.8293                 2.5972                 2.9835
 Frc consts  --      0.0750                 0.0547                 0.0963
 IR Inten    --      1.4341                 0.4614                12.0813
 RamAct Fr= 1--      0.0664                 0.1075                 0.3040
  Dep-P Fr= 1--      0.5198                 0.7121                 0.7434
  Dep-U Fr= 1--      0.6841                 0.8319                 0.8528
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0076                 0.0149                 0.0432
 AlphaG Fr= 1--      0.0001                -0.0006                -0.0007
 Gamma2 Fr= 1--     -0.0113                -0.1618                 0.0883
 Delta2 Fr= 1--      0.0126                -0.1467                 0.0829
 Raman1 Fr= 1--       0.266                  0.430                  1.216
 ROA1   Fr= 1--      -0.682                -20.226                 11.127
 CID1   Fr= 1--      -2.566                -47.051                  9.149
 Raman2 Fr= 1--       0.091                  0.179                  0.519
 ROA2   Fr= 1--      -0.373                 -2.710                  1.455
 CID2   Fr= 1--      -4.100                -15.154                  2.805
 Raman3 Fr= 1--       0.182                  0.358                  1.037
 ROA3   Fr= 1--      -0.682                -20.226                 11.127
 CID3   Fr= 1--      -3.751                -56.561                 10.727
 RC180  Fr= 1--       0.368                  0.664                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.04     0.01   0.01   0.01     0.04  -0.01   0.00
     2   6     0.01  -0.01   0.08     0.02  -0.00  -0.02     0.04  -0.01  -0.02
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01     0.02   0.02   0.02
     4   6     0.00   0.02   0.19     0.03   0.07   0.04    -0.02  -0.01   0.01
     5   8    -0.03   0.07   0.30     0.01   0.03  -0.10    -0.02  -0.00   0.03
     6   6     0.07   0.07   0.05     0.01  -0.00  -0.03    -0.00  -0.05  -0.02
     7   8    -0.06   0.02  -0.14    -0.05  -0.04   0.02    -0.16  -0.16  -0.03
     8   1     0.09  -0.11   0.03     0.02   0.03   0.01     0.07  -0.01  -0.00
     9   8     0.02  -0.04   0.07     0.02   0.02  -0.03    -0.01   0.23   0.01
    10   1     0.01  -0.02   0.08     0.02  -0.02  -0.02     0.05  -0.03  -0.02
    11   1    -0.02   0.22   0.07    -0.00   0.14   0.01     0.02   0.05   0.02
    12   8    -0.01   0.01  -0.10    -0.03   0.05  -0.08     0.10  -0.02  -0.01
    13   6     0.06  -0.05   0.02    -0.01  -0.13   0.18    -0.00   0.04  -0.05
    14   1    -0.06  -0.07   0.19     0.14   0.17   0.04    -0.06  -0.02   0.01
    15   8     0.05  -0.03  -0.27     0.09   0.01   0.10     0.03  -0.05  -0.00
    16   1     0.26   0.27   0.05    -0.06  -0.07  -0.03     0.03  -0.06  -0.02
    17   1    -0.03  -0.04  -0.20    -0.05  -0.13   0.05    -0.16  -0.58   0.23
    18   1     0.13  -0.10  -0.11    -0.06   0.07   0.08    -0.34   0.37   0.25
    19   1    -0.03   0.03  -0.22    -0.02   0.05  -0.07     0.20   0.06   0.02
    20   8    -0.11  -0.09  -0.18    -0.08  -0.06  -0.08     0.01   0.02   0.02
    21   1     0.23  -0.10   0.02    -0.11  -0.47   0.17     0.05   0.15  -0.05
    22   1     0.08  -0.07  -0.01     0.09  -0.07   0.50    -0.04   0.03  -0.15
    23   1    -0.14  -0.23  -0.25     0.24   0.08   0.08     0.05  -0.04  -0.01
    24   1    -0.16  -0.06  -0.13    -0.18  -0.06  -0.36     0.03   0.03   0.10
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.6956               274.4546               301.7581
 Red. masses --      3.5848                 2.8232                 3.3018
 Frc consts  --      0.1244                 0.1253                 0.1771
 IR Inten    --     12.1176                 8.7307                12.3648
 RamAct Fr= 1--      0.3892                 0.2233                 0.4082
  Dep-P Fr= 1--      0.4958                 0.7153                 0.4057
  Dep-U Fr= 1--      0.6629                 0.8340                 0.5772
 Alpha2 Fr= 1--      0.0020                 0.0001                 0.0030
 Beta2  Fr= 1--      0.0430                 0.0310                 0.0393
 AlphaG Fr= 1--     -0.0003                 0.0009                 0.0025
 Gamma2 Fr= 1--     -0.0465                -0.0503                -0.0455
 Delta2 Fr= 1--     -0.0732                 0.0248                -0.0175
 Raman1 Fr= 1--       1.557                  0.893                  1.633
 ROA1   Fr= 1--      -6.802                 -4.035                 -4.934
 CID1   Fr= 1--      -4.369                 -4.517                 -3.022
 Raman2 Fr= 1--       0.516                  0.373                  0.471
 ROA2   Fr= 1--      -0.530                 -1.406                 -0.953
 CID2   Fr= 1--      -1.027                 -3.773                 -2.022
 Raman3 Fr= 1--       1.032                  0.745                  0.942
 ROA3   Fr= 1--      -6.802                 -4.035                 -4.934
 CID3   Fr= 1--      -6.591                 -5.416                 -5.235
 RC180  Fr= 1--       0.326                  0.668                  0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.09  -0.06    -0.04   0.03   0.01    -0.04   0.02  -0.17
     2   6     0.08   0.04  -0.07    -0.05  -0.01   0.02    -0.04   0.01  -0.14
     3   6    -0.02   0.04  -0.02    -0.03  -0.02   0.01    -0.01  -0.01  -0.14
     4   6    -0.03   0.01   0.02    -0.07  -0.01   0.01     0.03  -0.02  -0.03
     5   8     0.03  -0.02  -0.01    -0.02  -0.00  -0.00    -0.09   0.10   0.15
     6   6     0.04   0.03  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.04
     7   8    -0.14  -0.04   0.04     0.05   0.10  -0.00     0.05  -0.02   0.06
     8   1    -0.05   0.16  -0.06    -0.05   0.02   0.01    -0.14   0.13  -0.16
     9   8     0.07  -0.18   0.06    -0.04  -0.03  -0.03    -0.12  -0.05   0.06
    10   1     0.16   0.08  -0.06    -0.09  -0.00   0.01     0.07   0.10  -0.13
    11   1    -0.08   0.05  -0.02    -0.05  -0.01   0.01    -0.12  -0.11  -0.14
    12   8     0.22  -0.05   0.00     0.16  -0.11  -0.00     0.00   0.07   0.07
    13   6    -0.03   0.03   0.02    -0.09   0.05   0.01     0.03  -0.08   0.02
    14   1    -0.01   0.02   0.02    -0.07   0.01   0.01     0.09  -0.19  -0.03
    15   8    -0.12   0.09   0.02     0.16  -0.07  -0.01     0.07   0.01  -0.00
    16   1     0.07  -0.03  -0.03    -0.05   0.02   0.01     0.16  -0.04  -0.04
    17   1    -0.15  -0.22   0.17     0.05   0.26  -0.08    -0.03  -0.11   0.39
    18   1     0.39  -0.31  -0.12    -0.16   0.06   0.24    -0.16   0.02   0.37
    19   1     0.46   0.15   0.15     0.32   0.03   0.04     0.09   0.08   0.36
    20   8    -0.07   0.02  -0.02    -0.11   0.06   0.00     0.08  -0.03  -0.02
    21   1    -0.03   0.01   0.02    -0.09   0.07   0.01    -0.02  -0.17   0.02
    22   1    -0.03   0.02   0.03    -0.11   0.06  -0.01     0.05  -0.06   0.12
    23   1    -0.28   0.16   0.05     0.68  -0.21  -0.10     0.19   0.02  -0.02
    24   1    -0.11   0.03  -0.04    -0.15   0.07  -0.06     0.20  -0.07   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    323.2862               344.1330               376.8943
 Red. masses --      2.4291                 1.9138                 1.2630
 Frc consts  --      0.1496                 0.1335                 0.1057
 IR Inten    --     62.5230                14.5118                70.3080
 RamAct Fr= 1--      1.3508                 1.3453                 1.1582
  Dep-P Fr= 1--      0.4636                 0.0875                 0.5832
  Dep-U Fr= 1--      0.6335                 0.1610                 0.7367
 Alpha2 Fr= 1--      0.0078                 0.0243                 0.0036
 Beta2  Fr= 1--      0.1426                 0.0361                 0.1422
 AlphaG Fr= 1--      0.0003                -0.0134                 0.0038
 Gamma2 Fr= 1--      0.8148                 0.1056                 0.2918
 Delta2 Fr= 1--      0.5619                -0.0284                 0.2999
 Raman1 Fr= 1--       5.403                  5.381                  4.633
 ROA1   Fr= 1--      96.200                  9.232                 37.607
 CID1   Fr= 1--      17.805                  1.716                  8.117
 Raman2 Fr= 1--       1.711                  0.433                  1.707
 ROA2   Fr= 1--      15.060                  2.762                  4.604
 CID2   Fr= 1--       8.800                  6.378                  2.698
 Raman3 Fr= 1--       3.423                  0.866                  3.413
 ROA3   Fr= 1--      96.200                  9.232                 37.607
 CID3   Fr= 1--      28.105                 10.659                 11.018
 RC180  Fr= 1--       0.267                 -0.678                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03   0.07     0.03   0.00  -0.04     0.00  -0.02   0.02
     2   6    -0.06   0.04   0.07     0.08   0.02  -0.03    -0.02   0.00   0.06
     3   6    -0.00   0.01   0.04    -0.01  -0.01  -0.00     0.01  -0.02  -0.01
     4   6     0.03  -0.01   0.00    -0.01  -0.02   0.04    -0.00   0.00  -0.03
     5   8    -0.01  -0.00  -0.03     0.03  -0.06   0.04    -0.00   0.01  -0.01
     6   6    -0.04   0.09   0.03     0.03  -0.01  -0.02    -0.01   0.02   0.04
     7   8    -0.14   0.03  -0.03     0.07   0.01   0.00     0.05   0.05  -0.06
     8   1    -0.02  -0.01   0.06     0.03   0.03  -0.04    -0.01  -0.09   0.01
     9   8     0.01  -0.07  -0.07     0.09  -0.02  -0.02     0.01   0.00  -0.03
    10   1    -0.14   0.02   0.06     0.10   0.03  -0.03    -0.08  -0.01   0.06
    11   1     0.05   0.03   0.04    -0.06  -0.01  -0.00     0.03  -0.04  -0.01
    12   8     0.00  -0.02  -0.02    -0.07   0.01   0.01    -0.01  -0.01  -0.00
    13   6     0.09  -0.06  -0.04    -0.03   0.04   0.01    -0.02  -0.00   0.00
    14   1    -0.01   0.02   0.00    -0.00  -0.05   0.04     0.00  -0.01  -0.03
    15   8    -0.04   0.08  -0.00    -0.13   0.03  -0.01     0.02  -0.01  -0.01
    16   1    -0.12   0.17   0.02     0.07  -0.00  -0.02    -0.06   0.06   0.04
    17   1    -0.13  -0.14   0.04     0.00  -0.19   0.36    -0.10  -0.46   0.73
    18   1    -0.03  -0.02   0.18    -0.14   0.15   0.55     0.13  -0.10  -0.34
    19   1     0.04   0.02  -0.00    -0.23  -0.09  -0.22     0.07   0.03   0.15
    20   8     0.14  -0.06   0.01    -0.07   0.02  -0.01    -0.01   0.01   0.01
    21   1     0.11  -0.02  -0.04     0.02   0.08   0.01    -0.07  -0.03   0.00
    22   1     0.08  -0.07  -0.08    -0.05   0.04  -0.04    -0.01   0.01   0.05
    23   1     0.74  -0.18  -0.14     0.45  -0.16  -0.11    -0.06  -0.03   0.00
    24   1     0.26  -0.09   0.17    -0.16   0.05  -0.10    -0.05   0.01  -0.09
                     13                     14                     15
                      A                      A                      A
 Frequencies --    391.9660               394.1525               411.3216
 Red. masses --      1.5840                 1.7859                 1.4693
 Frc consts  --      0.1434                 0.1635                 0.1465
 IR Inten    --     87.6481                13.2908               167.6052
 RamAct Fr= 1--      1.9433                 1.0506                 1.7593
  Dep-P Fr= 1--      0.7031                 0.7459                 0.4751
  Dep-U Fr= 1--      0.8257                 0.8544                 0.6441
 Alpha2 Fr= 1--      0.0016                 0.0001                 0.0097
 Beta2  Fr= 1--      0.2674                 0.1496                 0.1889
 AlphaG Fr= 1--      0.0015                 0.0008                -0.0105
 Gamma2 Fr= 1--     -0.4556                 0.2804                -1.1878
 Delta2 Fr= 1--     -0.3376                 0.0415                -0.8525
 Raman1 Fr= 1--       7.773                  4.202                  7.037
 ROA1   Fr= 1--     -54.540                 28.242               -141.314
 CID1   Fr= 1--      -7.016                  6.720                -20.081
 Raman2 Fr= 1--       3.209                  1.795                  2.266
 ROA2   Fr= 1--      -8.234                  6.397                -21.688
 CID2   Fr= 1--      -2.566                  3.563                 -9.569
 Raman3 Fr= 1--       6.418                  3.591                  4.533
 ROA3   Fr= 1--     -54.540                 28.242               -141.314
 CID3   Fr= 1--      -8.498                  7.865                -31.175
 RC180  Fr= 1--       0.651                  0.709                  0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.01     0.03  -0.01   0.01     0.04  -0.02  -0.02
     2   6    -0.04  -0.01  -0.01     0.04  -0.00   0.08     0.02  -0.01  -0.05
     3   6    -0.02  -0.04   0.04     0.03   0.04  -0.06    -0.00  -0.00   0.04
     4   6     0.05   0.02   0.06    -0.02  -0.01  -0.08     0.00   0.01   0.07
     5   8     0.05  -0.00  -0.02    -0.02   0.00   0.03    -0.02  -0.01  -0.01
     6   6     0.01   0.02  -0.01    -0.02  -0.02   0.07    -0.00  -0.01  -0.05
     7   8     0.02   0.02  -0.02    -0.01  -0.03  -0.01     0.05  -0.04  -0.01
     8   1     0.02  -0.02   0.01    -0.01  -0.06   0.01     0.09   0.02  -0.02
     9   8    -0.04  -0.02  -0.02     0.09  -0.00  -0.03    -0.03   0.04   0.04
    10   1    -0.05  -0.02  -0.01    -0.02   0.03   0.08     0.07  -0.04  -0.05
    11   1    -0.04   0.00   0.04     0.11  -0.00  -0.06    -0.03   0.05   0.04
    12   8    -0.05  -0.09  -0.05    -0.02   0.09  -0.02    -0.06  -0.02  -0.05
    13   6     0.08   0.05   0.01    -0.06  -0.02  -0.01     0.02   0.03   0.01
    14   1     0.07   0.07   0.06    -0.03  -0.09  -0.08     0.02   0.04   0.07
    15   8    -0.00   0.05  -0.01    -0.06  -0.05  -0.03    -0.04   0.02   0.03
    16   1     0.02   0.03  -0.01    -0.06   0.04   0.07     0.02  -0.06  -0.05
    17   1     0.00   0.01   0.04     0.05   0.12  -0.30     0.05   0.02  -0.05
    18   1    -0.25   0.12   0.40     0.00   0.05   0.10     0.21  -0.12  -0.45
    19   1     0.27   0.07   0.56     0.27   0.19   0.71     0.17   0.08   0.45
    20   8     0.01  -0.01   0.00     0.00   0.01   0.02    -0.05   0.01  -0.03
    21   1     0.16   0.11   0.02    -0.17  -0.09  -0.01     0.12   0.08   0.02
    22   1     0.08   0.02  -0.07    -0.04   0.00   0.09    -0.01   0.01  -0.07
    23   1    -0.32   0.15   0.05     0.10  -0.21  -0.06     0.48  -0.06  -0.05
    24   1    -0.22   0.05  -0.28    -0.09   0.01  -0.23     0.15  -0.01   0.37
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.1040               424.2858               447.6371
 Red. masses --      1.4122                 4.0325                 3.9807
 Frc consts  --      0.1427                 0.4277                 0.4700
 IR Inten    --    142.1686                22.1317                 6.8372
 RamAct Fr= 1--      1.1627                 3.7151                 6.5622
  Dep-P Fr= 1--      0.7068                 0.4447                 0.1540
  Dep-U Fr= 1--      0.8282                 0.6157                 0.2669
 Alpha2 Fr= 1--      0.0009                 0.0233                 0.1004
 Beta2  Fr= 1--      0.1605                 0.3812                 0.2919
 AlphaG Fr= 1--      0.0010                 0.0086                 0.0150
 Gamma2 Fr= 1--     -0.2217                 0.3006                 0.4723
 Delta2 Fr= 1--     -0.2833                -0.0171                 0.6838
 Raman1 Fr= 1--       4.651                 14.860                 26.249
 ROA1   Fr= 1--     -30.348                 28.308                 67.224
 CID1   Fr= 1--      -6.526                  1.905                  2.561
 Raman2 Fr= 1--       1.926                  4.575                  3.503
 ROA2   Fr= 1--      -3.055                  7.350                  5.865
 CID2   Fr= 1--      -1.586                  1.607                  1.675
 Raman3 Fr= 1--       3.852                  9.149                  7.005
 ROA3   Fr= 1--     -30.348                 28.308                 67.224
 CID3   Fr= 1--      -7.879                  3.094                  9.596
 RC180  Fr= 1--       0.656                  0.231                 -0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.02    -0.10   0.06  -0.07    -0.04   0.14   0.00
     2   6     0.03   0.01   0.01     0.06   0.10   0.01     0.04   0.00  -0.11
     3   6    -0.03   0.01   0.01    -0.11  -0.14  -0.10    -0.05   0.11   0.06
     4   6    -0.03  -0.02   0.00    -0.00  -0.11  -0.05    -0.05  -0.03   0.10
     5   8     0.03  -0.04  -0.02     0.12  -0.09   0.07     0.01  -0.13   0.00
     6   6     0.03  -0.02   0.00     0.12   0.07   0.04     0.02  -0.16  -0.06
     7   8    -0.02   0.07  -0.01    -0.11   0.03   0.04    -0.07   0.20   0.00
     8   1    -0.02   0.03   0.02    -0.21   0.08  -0.06     0.01   0.24   0.01
     9   8     0.06  -0.01  -0.02     0.07   0.16   0.04    -0.02   0.01   0.04
    10   1     0.03   0.00   0.01     0.09   0.16   0.01     0.13  -0.04  -0.10
    11   1    -0.01   0.02   0.01    -0.14  -0.25  -0.09    -0.08   0.21   0.06
    12   8    -0.03   0.00  -0.01    -0.11  -0.13   0.03    -0.04   0.09  -0.04
    13   6    -0.04  -0.04   0.01    -0.04  -0.04   0.01     0.04  -0.03  -0.05
    14   1    -0.02   0.00   0.00     0.02  -0.23  -0.05    -0.14   0.01   0.10
    15   8     0.04  -0.02  -0.01     0.09   0.09  -0.01     0.01  -0.17   0.03
    16   1     0.02  -0.02   0.00     0.16   0.12   0.04     0.08  -0.28  -0.06
    17   1    -0.04   0.00   0.10    -0.07   0.16  -0.16    -0.11   0.05   0.23
    18   1    -0.11   0.10   0.30     0.20   0.04  -0.41     0.11  -0.06  -0.16
    19   1     0.07   0.05   0.19    -0.07  -0.13   0.16     0.04   0.14   0.11
    20   8    -0.03  -0.00  -0.05     0.01  -0.01   0.01     0.12  -0.04   0.04
    21   1    -0.05  -0.09   0.01    -0.12  -0.10   0.00     0.16   0.10  -0.04
    22   1    -0.03  -0.03   0.07    -0.04  -0.01   0.08    -0.03  -0.04  -0.20
    23   1    -0.31   0.07   0.04     0.20   0.02  -0.03     0.03  -0.13   0.03
    24   1     0.42  -0.08   0.71    -0.13  -0.01  -0.30    -0.15  -0.01  -0.51
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.2955               574.3006               601.5330
 Red. masses --      3.6520                 3.4770                 5.0703
 Frc consts  --      0.5215                 0.6757                 1.0809
 IR Inten    --      2.5234                31.5423                 5.9013
 RamAct Fr= 1--      5.2258                 1.8721                 0.1266
  Dep-P Fr= 1--      0.1067                 0.1512                 0.6832
  Dep-U Fr= 1--      0.1928                 0.2626                 0.8118
 Alpha2 Fr= 1--      0.0900                 0.0289                 0.0001
 Beta2  Fr= 1--      0.1679                 0.0819                 0.0171
 AlphaG Fr= 1--     -0.0210                 0.0055                -0.0002
 Gamma2 Fr= 1--     -0.4837                -0.2101                 0.0517
 Delta2 Fr= 1--     -0.2060                -0.0654                 0.0526
 Raman1 Fr= 1--      20.903                  7.488                  0.506
 ROA1   Fr= 1--     -53.027                -22.261                  6.648
 CID1   Fr= 1--      -2.537                 -2.973                 13.131
 Raman2 Fr= 1--       2.015                  0.983                  0.206
 ROA2   Fr= 1--      -9.961                 -4.519                  0.820
 CID2   Fr= 1--      -4.942                 -4.596                  3.992
 Raman3 Fr= 1--       4.031                  1.967                  0.411
 ROA3   Fr= 1--     -53.027                -22.261                  6.648
 CID3   Fr= 1--     -13.156                -11.319                 16.175
 RC180  Fr= 1--      -0.614                 -0.475                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.11    -0.04  -0.03   0.17    -0.13  -0.07  -0.04
     2   6    -0.07   0.01   0.08    -0.02  -0.14  -0.05     0.10  -0.11   0.05
     3   6    -0.05   0.02  -0.15     0.07  -0.03  -0.03    -0.20  -0.00  -0.01
     4   6     0.12   0.05   0.05     0.08   0.03  -0.15    -0.05   0.20  -0.02
     5   8     0.13  -0.08  -0.06     0.11   0.05   0.08    -0.09   0.23  -0.01
     6   6    -0.02  -0.04   0.14     0.15  -0.07  -0.08     0.01  -0.07  -0.04
     7   8    -0.02  -0.01   0.04    -0.07   0.12  -0.04     0.04   0.05   0.00
     8   1    -0.30  -0.07  -0.10    -0.04  -0.06   0.16    -0.30  -0.18  -0.04
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.01     0.19   0.07   0.01
    10   1    -0.18   0.17   0.08     0.01  -0.45  -0.06     0.20  -0.20   0.05
    11   1    -0.21   0.01  -0.14     0.31  -0.13  -0.03    -0.38  -0.03  -0.01
    12   8     0.07   0.08   0.04     0.03   0.01   0.01     0.01  -0.17   0.03
    13   6     0.15   0.09   0.10     0.00   0.02   0.01     0.07  -0.01  -0.01
    14   1     0.31   0.02   0.05     0.08  -0.09  -0.14    -0.08   0.30  -0.02
    15   8    -0.08  -0.12  -0.03    -0.12   0.02   0.03    -0.11  -0.08   0.02
    16   1    -0.12   0.02   0.14     0.35  -0.16  -0.07     0.01  -0.15  -0.03
    17   1    -0.04   0.11   0.04    -0.06   0.02  -0.04    -0.02   0.22   0.10
    18   1    -0.07   0.01  -0.17    -0.17   0.02  -0.10    -0.00   0.11  -0.08
    19   1    -0.01   0.04  -0.11    -0.00  -0.02   0.01     0.17   0.02  -0.11
    20   8    -0.07  -0.01  -0.06    -0.05   0.01  -0.00     0.10  -0.05   0.00
    21   1     0.27   0.10   0.10    -0.22  -0.16   0.01     0.01  -0.11  -0.02
    22   1     0.19   0.04   0.02     0.13   0.04   0.25     0.21  -0.04   0.10
    23   1     0.01  -0.36  -0.05     0.20  -0.03  -0.03     0.03  -0.13  -0.00
    24   1    -0.02   0.04   0.29    -0.04   0.03   0.10     0.07  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    633.9880               640.3201               887.4094
 Red. masses --      2.9748                 4.0606                 2.1011
 Frc consts  --      0.7045                 0.9809                 0.9749
 IR Inten    --     13.3044                15.1450                50.9626
 RamAct Fr= 1--      0.3400                 0.1527                 2.4182
  Dep-P Fr= 1--      0.5477                 0.6724                 0.3821
  Dep-U Fr= 1--      0.7078                 0.8041                 0.5529
 Alpha2 Fr= 1--      0.0013                 0.0002                 0.0191
 Beta2  Fr= 1--      0.0401                 0.0205                 0.2228
 AlphaG Fr= 1--     -0.0019                 0.0003                -0.0371
 Gamma2 Fr= 1--     -0.0356                 0.1069                -0.4590
 Delta2 Fr= 1--      0.0046                -0.0086                -0.1795
 Raman1 Fr= 1--       1.360                  0.611                  9.673
 ROA1   Fr= 1--      -3.276                  9.986                -49.811
 CID1   Fr= 1--      -2.408                 16.345                 -5.150
 Raman2 Fr= 1--       0.481                  0.246                  2.674
 ROA2   Fr= 1--      -0.892                  2.633                 -9.581
 CID2   Fr= 1--      -1.853                 10.720                 -3.583
 Raman3 Fr= 1--       0.963                  0.491                  5.348
 ROA3   Fr= 1--      -3.276                  9.986                -49.811
 CID3   Fr= 1--      -3.403                 20.326                 -9.313
 RC180  Fr= 1--       0.416                  0.608                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.09  -0.06    -0.05  -0.09  -0.04     0.01  -0.01  -0.01
     2   6    -0.02   0.12  -0.09    -0.04  -0.06   0.02     0.01  -0.02  -0.01
     3   6     0.03  -0.02   0.13    -0.13   0.12   0.06     0.05  -0.02  -0.04
     4   6    -0.00   0.10  -0.09    -0.14   0.06   0.04     0.01  -0.05   0.08
     5   8     0.09   0.08  -0.00     0.18  -0.08  -0.00     0.03   0.14  -0.08
     6   6     0.03  -0.01   0.14     0.14   0.03   0.06     0.10   0.01   0.06
     7   8    -0.01  -0.03   0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1     0.33   0.30  -0.05    -0.07  -0.19  -0.05    -0.04   0.00  -0.00
     9   8    -0.08  -0.02   0.01    -0.11   0.02  -0.01    -0.02   0.00   0.00
    10   1    -0.07   0.39  -0.08    -0.11  -0.07   0.02    -0.01  -0.02  -0.02
    11   1     0.08  -0.06   0.13    -0.30   0.28   0.05     0.03  -0.02  -0.03
    12   8    -0.06  -0.12  -0.02     0.06   0.08  -0.01    -0.00  -0.00   0.01
    13   6    -0.02  -0.01  -0.04    -0.12  -0.09  -0.10    -0.12  -0.11   0.04
    14   1    -0.15   0.20  -0.09    -0.40   0.17   0.04     0.28   0.06   0.08
    15   8    -0.05  -0.11  -0.02    -0.02   0.11  -0.02    -0.03  -0.01   0.00
    16   1     0.04  -0.05   0.14     0.20   0.10   0.05     0.11  -0.04   0.06
    17   1     0.02  -0.10  -0.04     0.07   0.11   0.08    -0.01  -0.01  -0.01
    18   1     0.10  -0.06   0.08    -0.18   0.03  -0.07    -0.05   0.01  -0.01
    19   1    -0.01  -0.07  -0.03     0.17   0.20  -0.06    -0.07  -0.07   0.05
    20   8     0.01  -0.01   0.01     0.08  -0.03   0.03    -0.01   0.02  -0.00
    21   1    -0.24  -0.19  -0.04    -0.24  -0.17  -0.10     0.27   0.34   0.06
    22   1     0.12   0.00   0.21    -0.08  -0.07   0.04    -0.40  -0.16  -0.50
    23   1    -0.03  -0.40  -0.04     0.06  -0.01  -0.04    -0.04  -0.22  -0.01
    24   1     0.03  -0.01   0.06     0.16  -0.10  -0.07     0.22  -0.14  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    996.6430              1014.6264              1022.1587
 Red. masses --      3.9070                 3.5547                 4.0888
 Frc consts  --      2.2865                 2.1561                 2.5170
 IR Inten    --     76.0596                23.8244                18.8584
 RamAct Fr= 1--      0.3088                 0.4704                 1.0575
  Dep-P Fr= 1--      0.2673                 0.6465                 0.6273
  Dep-U Fr= 1--      0.4219                 0.7853                 0.7710
 Alpha2 Fr= 1--      0.0035                 0.0009                 0.0024
 Beta2  Fr= 1--      0.0217                 0.0616                 0.1359
 AlphaG Fr= 1--      0.0046                 0.0072                -0.0006
 Gamma2 Fr= 1--      0.0142                 0.0406                 0.4485
 Delta2 Fr= 1--      0.0584                 0.0747                 0.2326
 Raman1 Fr= 1--       1.235                  1.882                  4.230
 ROA1   Fr= 1--       3.236                  6.286                 50.503
 CID1   Fr= 1--       2.619                  3.341                 11.939
 Raman2 Fr= 1--       0.261                  0.739                  1.631
 ROA2   Fr= 1--      -0.126                  0.377                  8.904
 CID2   Fr= 1--      -0.484                  0.510                  5.460
 Raman3 Fr= 1--       0.521                  1.478                  3.261
 ROA3   Fr= 1--       3.236                  6.286                 50.503
 CID3   Fr= 1--       6.209                  4.254                 15.486
 RC180  Fr= 1--      -0.156                  0.571                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.12   0.23     0.13   0.07   0.04     0.22   0.08  -0.11
     2   6     0.02   0.19   0.05     0.10  -0.18  -0.08     0.09  -0.07   0.21
     3   6    -0.17   0.06  -0.14    -0.10   0.03  -0.07     0.06   0.07  -0.14
     4   6    -0.08  -0.00  -0.05    -0.12  -0.05  -0.04     0.00   0.08   0.10
     5   8     0.01   0.01   0.01    -0.08  -0.01  -0.06     0.10   0.01   0.05
     6   6     0.08   0.01  -0.10     0.01  -0.02   0.20    -0.09  -0.07  -0.11
     7   8     0.10  -0.10  -0.06     0.00   0.04   0.01    -0.06   0.08   0.07
     8   1     0.01  -0.06   0.20     0.25   0.26   0.04    -0.04   0.03  -0.10
     9   8    -0.09  -0.01  -0.04    -0.04  -0.02   0.01    -0.10  -0.04  -0.06
    10   1    -0.10  -0.04   0.04     0.07  -0.24  -0.08     0.05  -0.09   0.19
    11   1    -0.02  -0.06  -0.13    -0.07  -0.05  -0.07    -0.29   0.07  -0.12
    12   8    -0.03  -0.05   0.04    -0.02  -0.01   0.01    -0.05  -0.11   0.05
    13   6    -0.01   0.04   0.10     0.05   0.10   0.09    -0.06  -0.02  -0.06
    14   1     0.18  -0.17  -0.04    -0.04  -0.14  -0.04    -0.04   0.11   0.09
    15   8    -0.02  -0.09   0.02     0.03   0.14  -0.03    -0.01   0.00  -0.00
    16   1     0.15  -0.05  -0.10    -0.06  -0.04   0.19    -0.17   0.13  -0.11
    17   1     0.17  -0.30  -0.19     0.10  -0.25  -0.17     0.10  -0.38  -0.24
    18   1     0.38  -0.10   0.23    -0.30   0.03  -0.14    -0.25  -0.02  -0.14
    19   1     0.18   0.19  -0.14     0.07   0.09  -0.05    -0.07  -0.13   0.07
    20   8     0.04  -0.05  -0.03     0.05  -0.06  -0.04     0.01  -0.01   0.01
    21   1     0.18   0.18   0.10     0.13   0.04   0.09    -0.11  -0.08  -0.06
    22   1    -0.01  -0.04  -0.13     0.06   0.09   0.08    -0.02  -0.01   0.02
    23   1     0.01   0.13   0.03    -0.10  -0.45  -0.05     0.10   0.38   0.00
    24   1     0.05  -0.06  -0.06    -0.12   0.05   0.06     0.05  -0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1053.3295              1069.4374              1085.5385
 Red. masses --      2.7780                 3.6072                 3.8266
 Frc consts  --      1.8160                 2.4307                 2.6567
 IR Inten    --     87.9063               216.1320                 2.9076
 RamAct Fr= 1--      1.2097                 4.1878                 0.2462
  Dep-P Fr= 1--      0.6264                 0.2183                 0.3808
  Dep-U Fr= 1--      0.7703                 0.3584                 0.5516
 Alpha2 Fr= 1--      0.0027                 0.0541                 0.0020
 Beta2  Fr= 1--      0.1553                 0.2502                 0.0226
 AlphaG Fr= 1--     -0.0092                 0.0017                 0.0003
 Gamma2 Fr= 1--     -0.0217                 0.2773                 0.3013
 Delta2 Fr= 1--      0.0389                 0.1642                 0.4201
 Raman1 Fr= 1--       4.839                 16.751                  0.985
 ROA1   Fr= 1--      -0.837                 31.872                 42.367
 CID1   Fr= 1--      -0.173                  1.903                 43.019
 Raman2 Fr= 1--       1.864                  3.002                  0.272
 ROA2   Fr= 1--      -0.832                  5.341                  3.869
 CID2   Fr= 1--      -0.446                  1.779                 14.246
 Raman3 Fr= 1--       3.727                  6.004                  0.543
 ROA3   Fr= 1--      -0.837                 31.872                 42.367
 CID3   Fr= 1--      -0.224                  5.308                 77.989
 RC180  Fr= 1--       0.541                 -0.283                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02    -0.01   0.05  -0.04     0.02  -0.12   0.08
     2   6    -0.03   0.06   0.00    -0.10  -0.07  -0.01    -0.04   0.03  -0.15
     3   6     0.08  -0.12  -0.07    -0.08  -0.01   0.10     0.06  -0.03  -0.12
     4   6    -0.14  -0.05   0.15     0.06  -0.09  -0.07    -0.02   0.29   0.01
     5   8     0.02   0.08  -0.06     0.16   0.07   0.06     0.02  -0.14   0.08
     6   6     0.04  -0.01  -0.03    -0.17  -0.02  -0.06    -0.11  -0.04   0.05
     7   8    -0.02   0.01   0.00     0.02  -0.02  -0.01    -0.03   0.04   0.01
     8   1    -0.13  -0.11   0.02     0.29   0.23  -0.03    -0.07  -0.09   0.08
     9   8    -0.00   0.01  -0.00     0.09  -0.00   0.04     0.05   0.02   0.03
    10   1    -0.05   0.05   0.00    -0.04  -0.00   0.00    -0.07   0.05  -0.14
    11   1     0.07  -0.02  -0.07     0.01  -0.09   0.10     0.22  -0.11  -0.12
    12   8     0.04   0.06  -0.02    -0.00   0.04  -0.02     0.02  -0.03   0.01
    13   6    -0.04   0.16  -0.01    -0.16   0.13   0.09    -0.14   0.03   0.06
    14   1    -0.29   0.07   0.15     0.39  -0.11  -0.06     0.07   0.36   0.03
    15   8    -0.01  -0.02   0.01    -0.01  -0.01  -0.01     0.04   0.06  -0.03
    16   1     0.11  -0.07  -0.02    -0.15   0.09  -0.05    -0.14  -0.11   0.05
    17   1    -0.01  -0.04  -0.01    -0.02   0.07   0.06    -0.00  -0.06  -0.03
    18   1     0.14  -0.02   0.07    -0.21   0.05  -0.15     0.26  -0.02   0.13
    19   1    -0.29  -0.32   0.23     0.17   0.23  -0.15    -0.11  -0.17   0.10
    20   8     0.09  -0.11  -0.04     0.09  -0.13  -0.07     0.05  -0.06  -0.04
    21   1    -0.08  -0.26  -0.02    -0.08   0.16   0.08    -0.01   0.31   0.06
    22   1    -0.14   0.30   0.31    -0.34   0.15  -0.08     0.07  -0.16  -0.21
    23   1    -0.01  -0.07   0.00     0.08   0.23  -0.00    -0.02  -0.05  -0.02
    24   1    -0.29   0.13   0.19    -0.07  -0.02   0.05     0.28  -0.21  -0.15
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1094.2491              1101.0153              1110.5272
 Red. masses --      3.7391                 2.8179                 3.0851
 Frc consts  --      2.6378                 2.0126                 2.2417
 IR Inten    --    188.6867                14.7454               120.2010
 RamAct Fr= 1--      5.8054                 5.4113                 5.8304
  Dep-P Fr= 1--      0.4592                 0.1845                 0.7282
  Dep-U Fr= 1--      0.6294                 0.3115                 0.8427
 Alpha2 Fr= 1--      0.0343                 0.0766                 0.0022
 Beta2  Fr= 1--      0.6089                 0.2809                 0.8189
 AlphaG Fr= 1--     -0.0346                 0.0183                 0.0009
 Gamma2 Fr= 1--     -0.3631                -0.6795                -0.2231
 Delta2 Fr= 1--     -0.0211                -0.2794                -0.5298
 Raman1 Fr= 1--      23.221                 21.645                 23.321
 ROA1   Fr= 1--     -35.530                -74.172                -38.374
 CID1   Fr= 1--      -1.530                 -3.427                 -1.645
 Raman2 Fr= 1--       7.307                  3.371                  9.827
 ROA2   Fr= 1--      -8.545                -14.073                 -1.117
 CID2   Fr= 1--      -1.169                 -4.174                 -0.114
 Raman3 Fr= 1--      14.615                  6.742                 19.654
 ROA3   Fr= 1--     -35.530                -74.172                -38.374
 CID3   Fr= 1--      -2.431                -11.001                 -1.952
 RC180  Fr= 1--       0.259                 -0.377                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.07     0.01   0.04  -0.12    -0.20   0.21   0.00
     2   6     0.12   0.05   0.06    -0.02  -0.02   0.15     0.09  -0.05   0.02
     3   6     0.08   0.17   0.08     0.00  -0.12   0.08     0.16   0.08  -0.02
     4   6     0.14   0.01  -0.06    -0.11   0.08  -0.10    -0.06   0.04   0.03
     5   8    -0.14  -0.07  -0.02    -0.08  -0.05   0.01     0.03  -0.01   0.01
     6   6     0.14   0.01   0.02     0.15  -0.03  -0.05    -0.06   0.01   0.02
     7   8    -0.03   0.02   0.02    -0.01   0.00   0.02     0.07  -0.13  -0.09
     8   1    -0.12  -0.29  -0.07     0.19   0.10  -0.11    -0.27   0.21  -0.01
     9   8    -0.09   0.00  -0.05    -0.02  -0.01  -0.02    -0.02  -0.02  -0.01
    10   1     0.13   0.15   0.05    -0.03   0.23   0.16     0.21  -0.19   0.01
    11   1     0.05   0.19   0.08     0.17  -0.28   0.07     0.47   0.02  -0.01
    12   8    -0.04  -0.08   0.04     0.04   0.07  -0.06    -0.02  -0.07   0.03
    13   6    -0.13   0.13   0.02     0.01   0.03   0.14    -0.01   0.01   0.03
    14   1     0.34  -0.08  -0.04    -0.19   0.16  -0.10    -0.09   0.04   0.03
    15   8     0.00   0.00   0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
    16   1     0.07  -0.02   0.01     0.19   0.12  -0.06    -0.11   0.03   0.03
    17   1    -0.12   0.28   0.15    -0.01   0.02   0.01    -0.08   0.30   0.19
    18   1     0.11  -0.03   0.09    -0.22   0.03  -0.11    -0.30   0.04  -0.17
    19   1     0.13   0.11  -0.07    -0.12  -0.11   0.08    -0.19  -0.26   0.12
    20   8     0.08  -0.10  -0.06     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    21   1    -0.17   0.03   0.00     0.13   0.34   0.14     0.05   0.05   0.03
    22   1    -0.35   0.24   0.06     0.17  -0.14  -0.17     0.03  -0.02  -0.02
    23   1    -0.05  -0.10   0.01     0.07   0.27   0.01    -0.01  -0.05  -0.00
    24   1    -0.20   0.07   0.12     0.17  -0.12  -0.12     0.02  -0.01   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1116.0466              1141.8687              1158.8695
 Red. masses --      3.7940                 3.8332                 2.8519
 Frc consts  --      2.7843                 2.9447                 2.2566
 IR Inten    --    135.5346                 6.2671                41.1292
 RamAct Fr= 1--      5.1037                 4.8709                 3.0013
  Dep-P Fr= 1--      0.4828                 0.7078                 0.3582
  Dep-U Fr= 1--      0.6512                 0.8289                 0.5275
 Alpha2 Fr= 1--      0.0273                 0.0036                 0.0257
 Beta2  Fr= 1--      0.5539                 0.6729                 0.2639
 AlphaG Fr= 1--     -0.0132                -0.0032                -0.0101
 Gamma2 Fr= 1--      1.0315                -1.2776                 1.3553
 Delta2 Fr= 1--      0.6563                -0.6337                 0.9984
 Raman1 Fr= 1--      20.415                 19.483                 12.005
 ROA1   Fr= 1--     120.027               -142.931                162.056
 CID1   Fr= 1--       5.879                 -7.336                 13.499
 Raman2 Fr= 1--       6.647                  8.075                  3.166
 ROA2   Fr= 1--      19.505                -25.594                 24.539
 CID2   Fr= 1--       2.935                 -3.169                  7.750
 Raman3 Fr= 1--      13.294                 16.151                  6.333
 ROA3   Fr= 1--     120.027               -142.931                162.056
 CID3   Fr= 1--       9.029                 -8.850                 25.591
 RC180  Fr= 1--       0.302                  0.658                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.00     0.05  -0.08  -0.06     0.04  -0.12  -0.01
     2   6    -0.18  -0.11  -0.05    -0.23   0.00  -0.01     0.13  -0.04  -0.09
     3   6     0.02   0.03  -0.07     0.11   0.25  -0.07     0.01   0.04  -0.00
     4   6     0.08   0.09   0.06    -0.14  -0.08  -0.05    -0.10  -0.06  -0.04
     5   8    -0.09  -0.09  -0.04     0.04   0.03  -0.03     0.07   0.02   0.00
     6   6     0.15   0.24   0.02     0.04  -0.10  -0.03    -0.07   0.22   0.01
     7   8     0.02  -0.01  -0.00    -0.03   0.01   0.02    -0.04   0.04   0.02
     8   1     0.06   0.28  -0.00     0.14  -0.09  -0.07     0.06  -0.18  -0.01
     9   8     0.10   0.00   0.07     0.11   0.01   0.06    -0.05   0.01  -0.02
    10   1    -0.22  -0.27  -0.05    -0.39   0.22   0.01     0.25  -0.10  -0.10
    11   1    -0.08   0.06  -0.07     0.29   0.28  -0.06     0.06   0.06  -0.01
    12   8    -0.02  -0.04   0.02    -0.06  -0.12   0.08     0.00  -0.01   0.01
    13   6    -0.05   0.02  -0.07     0.08   0.00   0.08     0.03   0.03   0.08
    14   1     0.12   0.00   0.07    -0.25  -0.25  -0.06    -0.33  -0.16  -0.04
    15   8    -0.04  -0.14   0.05    -0.01   0.04  -0.02    -0.02  -0.14   0.04
    16   1     0.24   0.40   0.00     0.24  -0.12  -0.03    -0.13   0.54   0.01
    17   1     0.11  -0.29  -0.17    -0.08   0.16   0.14    -0.09   0.20   0.12
    18   1    -0.26   0.08  -0.11     0.03   0.03   0.00     0.06  -0.02   0.05
    19   1    -0.02  -0.04   0.01     0.06   0.01  -0.02    -0.01  -0.02   0.02
    20   8     0.02  -0.02   0.00    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
    21   1    -0.12  -0.12  -0.08     0.15   0.10   0.09    -0.02   0.19   0.09
    22   1    -0.09   0.10   0.09     0.15  -0.06  -0.03     0.23  -0.11  -0.04
    23   1     0.01   0.16   0.07     0.06   0.14  -0.02     0.04   0.23   0.06
    24   1    -0.04   0.01   0.03    -0.03   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1201.1061              1235.6450              1238.8256
 Red. masses --      1.2908                 1.2449                 1.1876
 Frc consts  --      1.0971                 1.1199                 1.0739
 IR Inten    --     21.5944                22.7025                 7.9979
 RamAct Fr= 1--      0.6798                 4.0829                 2.9697
  Dep-P Fr= 1--      0.5145                 0.7470                 0.4218
  Dep-U Fr= 1--      0.6795                 0.8552                 0.5933
 Alpha2 Fr= 1--      0.0031                 0.0002                 0.0203
 Beta2  Fr= 1--      0.0770                 0.5819                 0.2936
 AlphaG Fr= 1--      0.0039                -0.0033                 0.0027
 Gamma2 Fr= 1--      0.5826                -2.0666                 0.3138
 Delta2 Fr= 1--      0.6358                -0.9399                 0.6891
 Raman1 Fr= 1--       2.719                 16.331                 11.879
 ROA1   Fr= 1--      76.274               -228.467                 52.180
 CID1   Fr= 1--      28.051                -13.989                  4.393
 Raman2 Fr= 1--       0.924                  6.983                  3.524
 ROA2   Fr= 1--       8.896                -42.079                  2.020
 CID2   Fr= 1--       9.630                 -6.026                  0.573
 Raman3 Fr= 1--       1.848                 13.967                  7.048
 ROA3   Fr= 1--      76.274               -228.467                 52.180
 CID3   Fr= 1--      41.284                -16.358                  7.404
 RC180  Fr= 1--       0.359                  0.710                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.03  -0.02   0.06     0.02   0.02  -0.04
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.01    -0.02   0.00   0.05
     3   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.01    -0.03  -0.01  -0.03
     4   6    -0.03   0.05   0.05     0.05  -0.04   0.04    -0.00   0.01   0.06
     5   8    -0.00  -0.00  -0.00    -0.02   0.02  -0.02    -0.00   0.00  -0.01
     6   6     0.02  -0.02   0.00     0.03  -0.03  -0.01     0.01   0.01  -0.02
     7   8    -0.01   0.00  -0.01     0.01   0.00  -0.01    -0.02  -0.02   0.00
     8   1     0.36   0.17   0.05    -0.01   0.16   0.07     0.52   0.01  -0.05
     9   8    -0.01  -0.01  -0.00     0.01  -0.02   0.00    -0.01   0.01  -0.01
    10   1     0.07   0.49   0.02     0.07   0.45   0.01    -0.02  -0.37   0.03
    11   1     0.37  -0.15  -0.06    -0.12   0.29  -0.01     0.09  -0.07  -0.03
    12   8    -0.00   0.00   0.01     0.01  -0.00   0.01     0.01   0.00  -0.00
    13   6     0.01  -0.03  -0.05    -0.02   0.06  -0.01    -0.02   0.03  -0.04
    14   1     0.21  -0.10   0.05    -0.02  -0.16   0.04     0.17  -0.23   0.06
    15   8    -0.01  -0.01  -0.01    -0.01   0.01  -0.00     0.01   0.01   0.01
    16   1    -0.08   0.18  -0.00    -0.07  -0.02  -0.01    -0.06  -0.13  -0.02
    17   1    -0.06   0.15   0.10     0.03  -0.08  -0.04    -0.14   0.34   0.22
    18   1    -0.18   0.02  -0.10    -0.25   0.04  -0.14     0.20  -0.03   0.12
    19   1     0.08   0.10  -0.07    -0.06  -0.07   0.05    -0.03  -0.04   0.01
    20   8     0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.21  -0.23  -0.05    -0.40   0.18  -0.01    -0.15  -0.00  -0.04
    22   1    -0.15   0.07   0.04     0.38  -0.12   0.04     0.26  -0.08   0.05
    23   1     0.07   0.22  -0.00     0.02   0.03  -0.01    -0.08  -0.21   0.01
    24   1    -0.12   0.09   0.08     0.28  -0.20  -0.17     0.18  -0.12  -0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1259.9350              1279.2518              1317.8586
 Red. masses --      1.1653                 1.3214                 1.2185
 Frc consts  --      1.0899                 1.2741                 1.2469
 IR Inten    --     18.6768                54.2007                 5.6650
 RamAct Fr= 1--      3.1472                 2.4603                 2.2632
  Dep-P Fr= 1--      0.4533                 0.1906                 0.7355
  Dep-U Fr= 1--      0.6238                 0.3201                 0.8476
 Alpha2 Fr= 1--      0.0190                 0.0343                 0.0006
 Beta2  Fr= 1--      0.3272                 0.1313                 0.3197
 AlphaG Fr= 1--      0.0432                 0.0045                 0.0002
 Gamma2 Fr= 1--      0.3244                -0.7582                -0.2197
 Delta2 Fr= 1--     -0.3694                -0.9332                -0.0784
 Raman1 Fr= 1--      12.589                  9.841                  9.053
 ROA1   Fr= 1--      19.325               -102.647                -23.596
 CID1   Fr= 1--       1.535                -10.430                 -2.606
 Raman2 Fr= 1--       3.927                  1.575                  3.837
 ROA2   Fr= 1--      10.742                -10.731                 -4.645
 CID2   Fr= 1--       2.736                 -6.812                 -1.211
 Raman3 Fr= 1--       7.853                  3.151                  7.673
 ROA3   Fr= 1--      19.325               -102.647                -23.596
 CID3   Fr= 1--       2.461                -32.580                 -3.075
 RC180  Fr= 1--       0.248                 -0.360                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.00  -0.04   0.01     0.03   0.02   0.01
     2   6     0.01  -0.02   0.00    -0.05   0.07   0.03     0.01   0.02  -0.01
     3   6    -0.03  -0.01  -0.03    -0.01  -0.00  -0.03    -0.01   0.00   0.01
     4   6     0.02  -0.01  -0.07    -0.01   0.01  -0.03    -0.04  -0.03  -0.00
     5   8    -0.01  -0.00   0.02     0.01  -0.02   0.02    -0.01  -0.01  -0.02
     6   6     0.00  -0.02   0.02    -0.03   0.08  -0.06    -0.07  -0.02   0.07
     7   8    -0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.01  -0.00   0.00
     8   1     0.29   0.16   0.04     0.22  -0.04   0.00    -0.05  -0.24  -0.01
     9   8    -0.01   0.01  -0.00     0.01  -0.03  -0.01     0.00  -0.01  -0.00
    10   1    -0.10  -0.01   0.00     0.59   0.01   0.05     0.14  -0.03  -0.00
    11   1    -0.34   0.50  -0.04     0.02   0.21  -0.04    -0.00  -0.01   0.01
    12   8     0.03  -0.01   0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
    13   6     0.01  -0.03   0.02     0.01  -0.02   0.02    -0.01   0.03  -0.04
    14   1     0.02   0.22  -0.07    -0.05   0.14  -0.03     0.41   0.23   0.00
    15   8    -0.00  -0.00  -0.01     0.01  -0.00   0.03     0.00  -0.01  -0.02
    16   1    -0.00   0.12   0.02     0.16  -0.30  -0.04     0.71   0.05   0.08
    17   1    -0.09   0.21   0.14     0.01  -0.05  -0.02    -0.03   0.07   0.05
    18   1     0.11  -0.02   0.06    -0.37   0.05  -0.20    -0.07   0.01  -0.03
    19   1    -0.28  -0.35   0.22    -0.02  -0.03   0.02    -0.02  -0.03   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
    21   1     0.06   0.01   0.01     0.09  -0.00   0.02     0.05  -0.11  -0.04
    22   1    -0.18   0.04  -0.05    -0.09   0.01  -0.03     0.21  -0.04   0.05
    23   1     0.04   0.15  -0.00    -0.12  -0.40   0.01     0.10   0.25  -0.01
    24   1    -0.12   0.08   0.07    -0.08   0.06   0.05     0.10  -0.07  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1320.6059              1345.3082              1359.0493
 Red. masses --      1.2621                 1.2460                 1.2546
 Frc consts  --      1.2969                 1.3286                 1.3653
 IR Inten    --     33.3439                53.1275                11.3336
 RamAct Fr= 1--      2.1082                 1.9305                 1.2275
  Dep-P Fr= 1--      0.7482                 0.5692                 0.2469
  Dep-U Fr= 1--      0.8560                 0.7254                 0.3961
 Alpha2 Fr= 1--      0.0001                 0.0066                 0.0147
 Beta2  Fr= 1--      0.3008                 0.2334                 0.0810
 AlphaG Fr= 1--     -0.0004                 0.0028                 0.0067
 Gamma2 Fr= 1--      1.9013                -0.3980                -0.3501
 Delta2 Fr= 1--      0.5522                 0.8768                -0.2127
 Raman1 Fr= 1--       8.433                  7.722                  4.910
 ROA1   Fr= 1--     200.196                -10.151                -40.419
 CID1   Fr= 1--      23.740                 -1.315                 -8.232
 Raman2 Fr= 1--       3.609                  2.801                  0.972
 ROA2   Fr= 1--      41.214                -16.566                 -6.702
 CID2   Fr= 1--      11.419                 -5.914                 -6.892
 Raman3 Fr= 1--       7.218                  5.602                  1.945
 ROA3   Fr= 1--     200.196                -10.151                -40.419
 CID3   Fr= 1--      27.734                 -1.812                -20.784
 RC180  Fr= 1--       0.712                  0.451                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.07  -0.05  -0.05     0.00   0.02  -0.02
     2   6    -0.00   0.01  -0.02    -0.03  -0.04   0.04     0.04  -0.01  -0.01
     3   6    -0.03   0.04   0.07    -0.02  -0.01   0.01    -0.02  -0.02  -0.02
     4   6    -0.07   0.03  -0.04    -0.00  -0.02   0.00    -0.01  -0.08  -0.02
     5   8     0.02  -0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.04
     6   6     0.02   0.02  -0.02    -0.01  -0.02   0.02     0.03   0.02  -0.05
     7   8     0.01   0.02   0.01     0.02   0.02   0.01     0.00   0.00   0.01
     8   1    -0.16  -0.13  -0.02    -0.01   0.47  -0.02     0.01  -0.17  -0.04
     9   8     0.00  -0.00   0.01    -0.02   0.04  -0.03     0.00  -0.00   0.02
    10   1    -0.03   0.02  -0.02     0.31  -0.10   0.06    -0.36   0.05  -0.03
    11   1     0.02   0.13   0.07     0.36   0.31  -0.01     0.29   0.24  -0.04
    12   8     0.04  -0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.02   0.01  -0.02     0.00   0.01  -0.00    -0.01   0.05  -0.02
    14   1     0.49  -0.43  -0.03     0.05   0.08  -0.00     0.11   0.62  -0.02
    15   8     0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    16   1    -0.25  -0.03  -0.03     0.12   0.13   0.02    -0.26   0.04  -0.05
    17   1     0.09  -0.21  -0.13     0.13  -0.31  -0.19     0.01  -0.01  -0.01
    18   1    -0.04   0.01  -0.02     0.42  -0.06   0.21    -0.07   0.01  -0.04
    19   1    -0.26  -0.33   0.20     0.03   0.03  -0.02     0.08   0.10  -0.05
    20   8     0.00   0.01   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.28  -0.18  -0.02     0.01  -0.02  -0.00     0.19  -0.16  -0.02
    22   1     0.12  -0.04   0.02     0.03   0.00   0.01     0.10   0.03   0.07
    23   1    -0.03  -0.08   0.00    -0.00   0.03   0.00    -0.06  -0.20   0.01
    24   1     0.02  -0.01  -0.02     0.04  -0.03  -0.02     0.18  -0.13  -0.11
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1369.1088              1385.6796              1402.7508
 Red. masses --      1.2764                 1.2550                 1.4008
 Frc consts  --      1.4097                 1.4198                 1.6240
 IR Inten    --      1.5876                23.2594                 5.5738
 RamAct Fr= 1--      2.8954                 5.0328                 2.5988
  Dep-P Fr= 1--      0.5606                 0.7291                 0.7459
  Dep-U Fr= 1--      0.7185                 0.8433                 0.8545
 Alpha2 Fr= 1--      0.0104                 0.0018                 0.0002
 Beta2  Fr= 1--      0.3467                 0.7074                 0.3701
 AlphaG Fr= 1--     -0.0120                 0.0155                -0.0022
 Gamma2 Fr= 1--     -0.1198                -0.4244                 0.3052
 Delta2 Fr= 1--     -0.0736                -1.2067                -0.7863
 Raman1 Fr= 1--      11.582                 20.131                 10.395
 ROA1   Fr= 1--     -13.853                -79.359                  4.137
 CID1   Fr= 1--      -1.196                 -3.942                  0.398
 Raman2 Fr= 1--       4.161                  8.488                  4.441
 ROA2   Fr= 1--      -2.286                 -0.533                 13.615
 CID2   Fr= 1--      -0.549                 -0.063                  3.066
 Raman3 Fr= 1--       8.321                 16.977                  8.882
 ROA3   Fr= 1--     -13.853                -79.359                  4.137
 CID3   Fr= 1--      -1.665                 -4.675                  0.466
 RC180  Fr= 1--       0.437                  0.687                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04   0.04    -0.01   0.01   0.00     0.02   0.02  -0.00
     2   6    -0.03  -0.04   0.03    -0.03   0.05  -0.01     0.05  -0.08   0.03
     3   6     0.07   0.04   0.00     0.02  -0.02  -0.01    -0.06  -0.00   0.01
     4   6    -0.03  -0.02  -0.02     0.05   0.01  -0.02     0.06   0.04  -0.01
     5   8     0.00  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.01  -0.02
     6   6     0.00   0.02  -0.04     0.03  -0.03   0.06    -0.08   0.07  -0.05
     7   8    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.20   0.49   0.08     0.08  -0.09  -0.01    -0.06  -0.02  -0.00
     9   8    -0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    10   1     0.10   0.18   0.04     0.24  -0.20  -0.01    -0.35   0.31   0.02
    11   1    -0.45  -0.33   0.02    -0.08   0.11  -0.01     0.18   0.08   0.00
    12   8    -0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.01  -0.00  -0.00
    13   6    -0.03   0.04  -0.01    -0.02   0.06  -0.00    -0.00   0.01   0.01
    14   1     0.09   0.14  -0.02    -0.31  -0.16  -0.03    -0.31  -0.28  -0.02
    15   8     0.00   0.01   0.02    -0.01  -0.01  -0.03     0.01   0.00   0.01
    16   1     0.02   0.06  -0.04    -0.18  -0.10   0.06     0.46  -0.25  -0.03
    17   1    -0.08   0.18   0.11     0.00  -0.01  -0.01    -0.01   0.02   0.02
    18   1     0.12  -0.02   0.06    -0.07   0.01  -0.04     0.11  -0.02   0.06
    19   1     0.03   0.04  -0.02     0.05   0.06  -0.04    -0.08  -0.11   0.06
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.02  -0.01   0.01
    21   1     0.32  -0.17  -0.01     0.44  -0.23  -0.01     0.17  -0.07   0.00
    22   1     0.10   0.01   0.07    -0.17   0.18   0.12    -0.22   0.14   0.04
    23   1    -0.07  -0.22   0.01     0.10   0.32  -0.02    -0.06  -0.20   0.01
    24   1     0.13  -0.09  -0.08     0.34  -0.26  -0.20     0.18  -0.14  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0310              1429.9965              1432.6526
 Red. masses --      1.5647                 1.4603                 1.2582
 Frc consts  --      1.8538                 1.7594                 1.5215
 IR Inten    --      7.4739                42.1373                42.1955
 RamAct Fr= 1--      4.5694                 2.0529                 0.7680
  Dep-P Fr= 1--      0.7339                 0.6715                 0.7102
  Dep-U Fr= 1--      0.8465                 0.8035                 0.8305
 Alpha2 Fr= 1--      0.0013                 0.0029                 0.0005
 Beta2  Fr= 1--      0.6447                 0.2749                 0.1063
 AlphaG Fr= 1--     -0.0042                -0.0091                -0.0069
 Gamma2 Fr= 1--      0.6557                -0.8131                 0.0415
 Delta2 Fr= 1--      0.5828                 0.0923                 0.1220
 Raman1 Fr= 1--      18.278                  8.211                  3.072
 ROA1   Fr= 1--      81.599                -75.108                  7.886
 CID1   Fr= 1--       4.464                 -9.147                  2.567
 Raman2 Fr= 1--       7.736                  3.299                  1.276
 ROA2   Fr= 1--      11.075                -20.254                  0.020
 CID2   Fr= 1--       1.432                 -6.139                  0.016
 Raman3 Fr= 1--      15.473                  6.598                  2.551
 ROA3   Fr= 1--      81.599                -75.108                  7.886
 CID3   Fr= 1--       5.274                -11.384                  3.091
 RC180  Fr= 1--       0.693                  0.607                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.08   0.02     0.09   0.06   0.01    -0.03   0.04   0.01
     2   6    -0.10  -0.08  -0.02    -0.03  -0.05  -0.00    -0.01   0.01  -0.02
     3   6    -0.09   0.04   0.00    -0.00  -0.10   0.00     0.02  -0.02  -0.00
     4   6     0.02  -0.02   0.01     0.02   0.02  -0.00     0.03   0.03  -0.00
     5   8    -0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.01
     6   6     0.04  -0.02   0.00     0.02   0.02   0.01    -0.02  -0.10  -0.04
     7   8    -0.01  -0.02  -0.01    -0.02  -0.02  -0.02     0.00   0.00   0.01
     8   1    -0.24  -0.31   0.00    -0.30  -0.08   0.01     0.15  -0.26  -0.02
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.01  -0.00   0.00
    10   1     0.50   0.26   0.03     0.14   0.13   0.02     0.07   0.02  -0.02
    11   1     0.22  -0.17   0.01     0.09   0.41  -0.02    -0.09   0.05  -0.00
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02    -0.01  -0.00   0.00
    13   6     0.06   0.00  -0.01    -0.10  -0.01   0.01    -0.03   0.00   0.00
    14   1     0.00   0.15   0.01    -0.09  -0.16   0.00    -0.13  -0.16  -0.01
    15   8    -0.00   0.01   0.00    -0.00  -0.00  -0.01     0.01   0.03   0.05
    16   1    -0.22   0.12  -0.01    -0.07  -0.10   0.01     0.16   0.78  -0.08
    17   1    -0.06   0.14   0.10    -0.10   0.23   0.13     0.02  -0.05  -0.03
    18   1     0.20  -0.03   0.11     0.09  -0.01   0.05     0.01  -0.00  -0.00
    19   1    -0.14  -0.18   0.11     0.14   0.19  -0.11     0.03   0.03  -0.02
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.00  -0.00   0.00
    21   1    -0.23   0.05  -0.01     0.28  -0.05   0.01     0.14  -0.03   0.00
    22   1    -0.23   0.15   0.01     0.38  -0.27  -0.04     0.03  -0.02   0.02
    23   1    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.13  -0.38   0.03
    24   1     0.13  -0.10  -0.07    -0.26   0.21   0.15     0.01  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1438.1514              1447.6124              1502.5198
 Red. masses --      1.4296                 1.7654                 1.0860
 Frc consts  --      1.7422                 2.1797                 1.4446
 IR Inten    --      9.7364                23.8135                 2.1214
 RamAct Fr= 1--      2.1063                 3.2709                 5.0124
  Dep-P Fr= 1--      0.1891                 0.6919                 0.7478
  Dep-U Fr= 1--      0.3180                 0.8179                 0.8557
 Alpha2 Fr= 1--      0.0294                 0.0033                 0.0002
 Beta2  Fr= 1--      0.1116                 0.4459                 0.7148
 AlphaG Fr= 1--      0.0052                -0.0000                 0.0010
 Gamma2 Fr= 1--      0.6249                 0.4981                 0.4433
 Delta2 Fr= 1--      0.5169                -0.1878                 0.5323
 Raman1 Fr= 1--       8.425                 13.084                 20.050
 ROA1   Fr= 1--      76.529                 41.809                 59.591
 CID1   Fr= 1--       9.084                  3.196                  2.972
 Raman2 Fr= 1--       1.340                  5.351                  8.578
 ROA2   Fr= 1--      10.861                 13.457                  6.381
 CID2   Fr= 1--       8.108                  2.515                  0.744
 Raman3 Fr= 1--       2.679                 10.701                 17.156
 ROA3   Fr= 1--      76.529                 41.809                 59.591
 CID3   Fr= 1--      28.563                  3.907                  3.473
 RC180  Fr= 1--      -0.364                  0.636                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.01    -0.07   0.07   0.01     0.00   0.00   0.00
     2   6    -0.01  -0.07  -0.00    -0.01  -0.10  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.08  -0.01     0.13  -0.08  -0.01     0.00  -0.00   0.00
     4   6     0.06  -0.06   0.00    -0.11   0.04  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00   0.00     0.01  -0.01   0.01     0.00   0.00   0.00
     6   6     0.00   0.03   0.01    -0.00   0.04  -0.01    -0.00   0.00   0.00
     7   8     0.02   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
     8   1     0.40  -0.29  -0.03     0.26  -0.34  -0.03    -0.01  -0.00   0.00
     9   8    -0.01   0.02  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
    10   1     0.10   0.21   0.02     0.09   0.31   0.03     0.00   0.00  -0.00
    11   1    -0.11  -0.34   0.01    -0.38   0.23  -0.00    -0.00   0.02  -0.00
    12   8     0.01  -0.01  -0.01    -0.04   0.00   0.02    -0.00   0.00   0.00
    13   6    -0.08   0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1    -0.21   0.18  -0.00     0.29  -0.09  -0.01     0.07   0.01  -0.00
    15   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   1    -0.05  -0.20   0.02    -0.04  -0.18  -0.00    -0.00  -0.01   0.00
    17   1     0.09  -0.23  -0.13     0.04  -0.09  -0.06    -0.00   0.00   0.00
    18   1     0.18  -0.02   0.09     0.23  -0.03   0.11     0.00  -0.00   0.00
    19   1    -0.11  -0.14   0.08     0.20   0.26  -0.15     0.01   0.01  -0.01
    20   8     0.02   0.01  -0.01    -0.01  -0.01   0.00     0.00  -0.01  -0.00
    21   1     0.24  -0.03   0.01    -0.18   0.01  -0.00     0.23   0.65  -0.01
    22   1     0.32  -0.19   0.02    -0.20   0.12  -0.03     0.01   0.19   0.69
    23   1     0.03   0.09  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.16   0.13   0.09     0.09  -0.08  -0.06    -0.01  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2973.5714              2980.3982              2986.5567
 Red. masses --      1.0815                 1.0794                 1.0734
 Frc consts  --      5.6340                 5.6490                 5.6408
 IR Inten    --      8.3396                 5.9712                26.5340
 RamAct Fr= 1--     58.9876                85.0108               228.1361
  Dep-P Fr= 1--      0.1520                 0.1646                 0.1219
  Dep-U Fr= 1--      0.2639                 0.2827                 0.2173
 Alpha2 Fr= 1--      0.9073                 1.2662                 3.7844
 Beta2  Fr= 1--      2.5944                 4.0048                 8.2624
 AlphaG Fr= 1--      0.1386                 0.0737                 0.4032
 Gamma2 Fr= 1--      1.3376                 6.2967                -8.0390
 Delta2 Fr= 1--     -0.0807                 6.1178                -9.4799
 Raman1 Fr= 1--     235.950                340.043                912.544
 ROA1   Fr= 1--     125.831                800.256              -1075.097
 CID1   Fr= 1--       0.533                  2.353                 -1.178
 Raman2 Fr= 1--      31.133                 48.058                 99.149
 ROA2   Fr= 1--      32.749                102.179               -117.097
 CID2   Fr= 1--       1.052                  2.126                 -1.181
 Raman3 Fr= 1--      62.266                 96.115                198.297
 ROA3   Fr= 1--     125.831                800.256              -1075.097
 CID3   Fr= 1--       2.021                  8.326                 -5.422
 RC180  Fr= 1--      -0.472                 -0.435                 -0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.02     0.00  -0.00   0.04     0.00  -0.00   0.01
     2   6     0.01   0.00  -0.08     0.00   0.00  -0.01     0.00   0.00  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.06    -0.00  -0.00  -0.02
     4   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.04
     5   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01   0.01  -0.21    -0.02   0.03  -0.54    -0.00   0.01  -0.09
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1    -0.04  -0.04   0.91    -0.01  -0.01   0.13    -0.00  -0.00   0.08
    11   1    -0.01  -0.01  -0.29     0.02   0.02   0.77     0.00   0.01   0.23
    12   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.01  -0.00  -0.06
    14   1    -0.00  -0.00   0.09    -0.00   0.00  -0.04     0.01  -0.00  -0.45
    15   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   1     0.00  -0.00  -0.13    -0.00   0.00   0.03    -0.00   0.00   0.02
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1    -0.00  -0.00   0.01     0.01   0.01  -0.30    -0.02  -0.03   0.84
    22   1     0.00   0.00  -0.00    -0.02  -0.04   0.02     0.05   0.11  -0.05
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   2994.6264              3010.0398              3022.0048
 Red. masses --      1.0835                 1.0838                 1.0861
 Frc consts  --      5.7247                 5.7858                 5.8441
 IR Inten    --      7.4154                48.7311                99.2492
 RamAct Fr= 1--      6.5524                 8.2799                64.1350
  Dep-P Fr= 1--      0.3466                 0.3470                 0.1666
  Dep-U Fr= 1--      0.5147                 0.5152                 0.2857
 Alpha2 Fr= 1--      0.0582                 0.0734                 0.9502
 Beta2  Fr= 1--      0.5621                 0.7110                 3.0536
 AlphaG Fr= 1--      0.0725                -0.2236                -0.5538
 Gamma2 Fr= 1--     -0.8491                -0.0037                -1.7562
 Delta2 Fr= 1--     -0.5461                 1.0345                 0.8513
 Raman1 Fr= 1--      26.210                 33.120                256.540
 ROA1   Fr= 1--     -98.989                 32.752               -141.351
 CID1   Fr= 1--      -3.777                  0.989                 -0.551
 Raman2 Fr= 1--       6.745                  8.532                 36.643
 ROA2   Fr= 1--     -16.009                 -8.363                -48.959
 CID2   Fr= 1--      -2.373                 -0.980                 -1.336
 Raman3 Fr= 1--      13.491                 17.064                 73.285
 ROA3   Fr= 1--     -98.989                 32.752               -141.351
 CID3   Fr= 1--      -7.338                  1.919                 -1.929
 RC180  Fr= 1--       0.029                  0.030                 -0.429
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.06    -0.00   0.00  -0.02    -0.00   0.00  -0.02
     2   6     0.00   0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.02
     3   6    -0.00  -0.00  -0.03    -0.00  -0.00  -0.03    -0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.03     0.00  -0.00  -0.06     0.00  -0.00  -0.02
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02    -0.00   0.00   0.03     0.00  -0.00  -0.07
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.02  -0.05   0.72     0.01  -0.01   0.22     0.01  -0.02   0.26
     9   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   1    -0.01  -0.02   0.29    -0.00  -0.00   0.03    -0.01  -0.01   0.21
    11   1     0.01   0.01   0.36     0.01   0.01   0.34     0.01   0.01   0.16
    12   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.02    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01
    14   1     0.01   0.00  -0.39    -0.01   0.01   0.74    -0.01  -0.00   0.27
    15   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.21     0.01  -0.01  -0.40    -0.01   0.03   0.88
    17   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1     0.00   0.01  -0.24    -0.00  -0.01   0.32     0.00  -0.00   0.08
    22   1    -0.02  -0.05   0.02     0.03   0.08  -0.03     0.01   0.03  -0.01
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.01
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3120.3401              3758.1687              3779.2006
 Red. masses --      1.0918                 1.0650                 1.0659
 Frc consts  --      6.2634                 8.8623                 8.9691
 IR Inten    --      9.5646                35.2836                62.6297
 RamAct Fr= 1--     72.2243                69.3980                48.4762
  Dep-P Fr= 1--      0.2767                 0.1530                 0.1978
  Dep-U Fr= 1--      0.4335                 0.2654                 0.3303
 Alpha2 Fr= 1--      0.7933                 1.0646                 0.6621
 Beta2  Fr= 1--      5.2180                 3.0702                 2.6686
 AlphaG Fr= 1--      0.3570                -0.1570                -0.2393
 Gamma2 Fr= 1--      2.4138                -2.4844                -1.9547
 Delta2 Fr= 1--      1.9653                -0.8103                 1.3996
 Raman1 Fr= 1--     288.897                277.592                193.905
 ROA1   Fr= 1--     294.612               -264.435               -142.859
 CID1   Fr= 1--       1.020                 -0.953                 -0.737
 Raman2 Fr= 1--      62.615                 36.843                 32.023
 ROA2   Fr= 1--      42.208                -53.144                -58.109
 CID2   Fr= 1--       0.674                 -1.442                 -1.815
 Raman3 Fr= 1--     125.231                 73.685                 64.046
 ROA3   Fr= 1--     294.612               -264.435               -142.859
 CID3   Fr= 1--       2.353                 -3.589                 -2.231
 RC180  Fr= 1--      -0.133                 -0.469                 -0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.04  -0.01
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   8    -0.00  -0.00   0.00    -0.01   0.00  -0.06    -0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.66   0.70   0.17
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    21   1    -0.01  -0.00  -0.15    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.14  -0.07   0.98     0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.09   0.18  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3780.0707              3781.5602              3791.8308
 Red. masses --      1.0655                 1.0659                 1.0660
 Frc consts  --      8.9706                 8.9803                 9.0302
 IR Inten    --     18.8509                50.4122                59.1578
 RamAct Fr= 1--     63.9626                76.8609                87.5708
  Dep-P Fr= 1--      0.1072                 0.2048                 0.1708
  Dep-U Fr= 1--      0.1937                 0.3399                 0.2917
 Alpha2 Fr= 1--      1.1002                 1.0307                 1.2837
 Beta2  Fr= 1--      2.0651                 4.3543                 4.2579
 AlphaG Fr= 1--      0.0183                -0.3222                 0.4010
 Gamma2 Fr= 1--      1.5268                 0.3331                 2.0511
 Delta2 Fr= 1--     -0.9981                 1.8262                -0.5547
 Raman1 Fr= 1--     255.850                307.443                350.283
 ROA1   Fr= 1--     114.630                 90.415                179.153
 CID1   Fr= 1--       0.448                  0.294                  0.511
 Raman2 Fr= 1--      24.781                 52.252                 51.095
 ROA2   Fr= 1--      44.627                 -6.615                 53.663
 CID2   Fr= 1--       1.801                 -0.127                  1.050
 Raman3 Fr= 1--      49.562                104.504                102.191
 ROA3   Fr= 1--     114.630                 90.415                179.153
 CID3   Fr= 1--       2.313                  0.865                  1.753
 RC180  Fr= 1--      -0.613                 -0.320                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06  -0.01  -0.02
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.02  -0.06   0.01    -0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   8    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.95   0.15   0.27
    18   1    -0.01  -0.03   0.01     0.29   0.94  -0.17     0.01   0.04  -0.01
    19   1     0.14  -0.15  -0.03    -0.01   0.01   0.00     0.01  -0.01  -0.00
    20   8    -0.03  -0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   1     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.00   0.00   0.00     0.01  -0.00   0.05    -0.00   0.00  -0.00
    24   1     0.44   0.85  -0.17     0.02   0.03  -0.01     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1545.434132279.252613659.41250
           X            0.99995   0.00995   0.00294
           Y           -0.00994   0.99995  -0.00260
           Z           -0.00297   0.00257   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05605     0.03800     0.02367
 Rotational constants (GHZ):           1.16779     0.79181     0.49318
 Zero-point vibrational energy     516584.0 (Joules/Mol)
                                  123.46654 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.08   148.99   168.74   212.58   272.14
          (Kelvin)            336.83   349.18   394.88   434.16   465.14
                              495.13   542.27   563.95   567.10   591.80
                              595.80   610.45   644.05   708.30   826.29
                              865.47   912.17   921.28  1276.78  1433.95
                             1459.82  1470.66  1515.51  1538.68  1561.85
                             1574.38  1584.12  1597.80  1605.74  1642.89
                             1667.35  1728.12  1777.82  1782.39  1812.77
                             1840.56  1896.10  1900.06  1935.60  1955.37
                             1969.84  1993.68  2018.25  2040.23  2057.45
                             2061.27  2069.18  2082.79  2161.79  4278.31
                             4288.13  4296.99  4308.60  4330.78  4347.99
                             4489.47  5407.17  5437.43  5438.68  5440.82
                             5455.60
 
 Zero-point correction=                           0.196756 (Hartree/Particle)
 Thermal correction to Energy=                    0.209185
 Thermal correction to Enthalpy=                  0.210129
 Thermal correction to Gibbs Free Energy=         0.159089
 Sum of electronic and zero-point Energies=           -687.312796
 Sum of electronic and thermal Energies=              -687.300367
 Sum of electronic and thermal Enthalpies=            -687.299423
 Sum of electronic and thermal Free Energies=         -687.350464
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.266             47.610            107.424
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.934
 Vibrational            129.488             41.648             35.019
 Vibration     1          0.598              1.968              4.127
 Vibration     2          0.605              1.946              3.386
 Vibration     3          0.608              1.935              3.145
 Vibration     4          0.617              1.905              2.701
 Vibration     5          0.633              1.855              2.236
 Vibration     6          0.654              1.789              1.847
 Vibration     7          0.659              1.775              1.783
 Vibration     8          0.677              1.721              1.568
 Vibration     9          0.694              1.670              1.407
 Vibration    10          0.708              1.629              1.293
 Vibration    11          0.723              1.587              1.193
 Vibration    12          0.747              1.519              1.052
 Vibration    13          0.759              1.487              0.993
 Vibration    14          0.761              1.483              0.984
 Vibration    15          0.775              1.446              0.922
 Vibration    16          0.778              1.440              0.912
 Vibration    17          0.786              1.417              0.878
 Vibration    18          0.807              1.366              0.803
 Vibration    19          0.848              1.267              0.678
 Vibration    20          0.931              1.087              0.496
 Vibration    21          0.960              1.029              0.447
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.667206D-73        -73.175740       -168.493368
 Total V=0       0.211771D+18         17.325866         39.894282
 Vib (Bot)       0.546632D-87        -87.262305       -200.928882
 Vib (Bot)    1  0.290648D+01          0.463367          1.066942
 Vib (Bot)    2  0.198042D+01          0.296756          0.683306
 Vib (Bot)    3  0.174351D+01          0.241424          0.555899
 Vib (Bot)    4  0.137324D+01          0.137747          0.317175
 Vib (Bot)    5  0.105843D+01          0.024664          0.056791
 Vib (Bot)    6  0.839792D+00         -0.075828         -0.174601
 Vib (Bot)    7  0.806931D+00         -0.093164         -0.214517
 Vib (Bot)    8  0.702555D+00         -0.153319         -0.353031
 Vib (Bot)    9  0.629603D+00         -0.200933         -0.462665
 Vib (Bot)   10  0.580327D+00         -0.236327         -0.544164
 Vib (Bot)   11  0.538157D+00         -0.269091         -0.619604
 Vib (Bot)   12  0.480763D+00         -0.318069         -0.732380
 Vib (Bot)   13  0.457381D+00         -0.339722         -0.782238
 Vib (Bot)   14  0.454128D+00         -0.342822         -0.789377
 Vib (Bot)   15  0.429705D+00         -0.366830         -0.844657
 Vib (Bot)   16  0.425925D+00         -0.370667         -0.853492
 Vib (Bot)   17  0.412487D+00         -0.384590         -0.885550
 Vib (Bot)   18  0.383828D+00         -0.415864         -0.957562
 Vib (Bot)   19  0.336126D+00         -0.473498         -1.090270
 Vib (Bot)   20  0.266848D+00         -0.573737         -1.321078
 Vib (Bot)   21  0.247840D+00         -0.605828         -1.394972
 Vib (V=0)       0.173501D+04          3.239302          7.458768
 Vib (V=0)    1  0.344917D+01          0.537715          1.238134
 Vib (V=0)    2  0.254256D+01          0.405271          0.933171
 Vib (V=0)    3  0.231379D+01          0.364323          0.838885
 Vib (V=0)    4  0.196144D+01          0.292574          0.673677
 Vib (V=0)    5  0.167059D+01          0.222870          0.513178
 Vib (V=0)    6  0.147737D+01          0.169489          0.390263
 Vib (V=0)    7  0.144928D+01          0.161153          0.371069
 Vib (V=0)    8  0.136231D+01          0.134277          0.309184
 Vib (V=0)    9  0.130399D+01          0.115274          0.265429
 Vib (V=0)   10  0.126602D+01          0.102439          0.235874
 Vib (V=0)   11  0.123458D+01          0.091521          0.210734
 Vib (V=0)   12  0.119364D+01          0.076873          0.177006
 Vib (V=0)   13  0.117764D+01          0.071013          0.163513
 Vib (V=0)   14  0.117545D+01          0.070204          0.161651
 Vib (V=0)   15  0.115928D+01          0.064187          0.147797
 Vib (V=0)   16  0.115682D+01          0.063266          0.145674
 Vib (V=0)   17  0.114819D+01          0.060012          0.138184
 Vib (V=0)   18  0.113034D+01          0.053208          0.122515
 Vib (V=0)   19  0.110248D+01          0.042370          0.097561
 Vib (V=0)   20  0.106675D+01          0.028063          0.064618
 Vib (V=0)   21  0.105805D+01          0.024508          0.056432
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128521D+07          6.108973         14.066430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                   3332222                                    11111111111111111111111111111                                  
   77777                   1009999                                    544444433333322222111110000009   8    6665444443333332221111   
   98875                   2219887                                    043331086542176330541109865219   8    43079421199742074384107  
   22098                   0205704                                    388308369951890961926114693257   7    04242844142743243498741  
 
   XXXXX                   XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                    XX X                                       X XX  X  XX XX XXX XX X XXXXX   X       X  XXX XX X           
   XX XX                    XX                                           XX     XX X    X XX X XX  X   X       X   XX XX X           
   XX X                     XX                                           XX     X  X    X XX X XX  X   X           XX XX X           
   XX X                     XX                                                  X  X      XX X XX  X   X           XX XX X           
      X                     X                                                             XX X XX  X               XX XX X           
                            X                                                             XX X XX  X               XX XX             
                            X                                                             XX X XX                  XX X              
                            X                                                             XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          XX X X                   XX                
                                                                                          X  X X                   XX                
                                                                                          X  X X                   XX                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                    X                
                                                                                             X X                                     
                                                                                               X                                     
                                                                                               X                                     
                                                                                               X                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000034318    0.000027081    0.000004064
      2        6          -0.000073648   -0.000010459   -0.000002651
      3        6          -0.000003951   -0.000050902    0.000028554
      4        6           0.000027295    0.000121440   -0.000063058
      5        8          -0.000018520   -0.000095602    0.000036723
      6        6           0.000016462    0.000054415   -0.000047598
      7        8           0.000016675   -0.000022594   -0.000014792
      8        1           0.000008745   -0.000009037   -0.000001925
      9        8           0.000049273    0.000016119    0.000036243
     10        1           0.000011747   -0.000001146    0.000002335
     11        1          -0.000005358    0.000000746   -0.000007861
     12        8           0.000006893    0.000017989   -0.000015948
     13        6          -0.000010629   -0.000012041    0.000017827
     14        1          -0.000005964   -0.000008930    0.000016423
     15        8           0.000009879   -0.000039999    0.000018329
     16        1           0.000003888    0.000000493    0.000002631
     17        1           0.000002704    0.000010423    0.000001701
     18        1           0.000010242    0.000006990   -0.000014132
     19        1           0.000001208    0.000005093    0.000000751
     20        8           0.000006727   -0.000007469   -0.000012391
     21        1          -0.000007288    0.000004692   -0.000000277
     22        1          -0.000000287   -0.000003056    0.000001335
     23        1          -0.000012356   -0.000000903    0.000009061
     24        1           0.000000581   -0.000003343    0.000004656
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000121440 RMS     0.000028099
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107976D+03  0.136796D+01  0.322495D+00
      2   0.136796D+01  0.102878D+03 -0.409904D+00
      3   0.322495D+00 -0.409904D+00  0.836158D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466578D+00 -0.366838D+01 -0.213119D+01
      2  -0.253835D+01  0.147984D+01  0.624132D+01
      3   0.116265D+02 -0.119272D+02 -0.288053D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.282241D+02 -0.163463D+02 -0.912544D+01
      2  -0.245724D+02  0.182346D+02  0.415236D+01
      3  -0.365171D+01 -0.188830D+01  0.497309D+01
      4  -0.506106D+00 -0.854700D+01  0.782347D+00
      5  -0.263552D+01  0.153626D+01  0.106648D+02
      6  -0.362745D+01  0.692653D+01  0.241683D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.242821D+01 -0.202720D+01 -0.957419D+00 -0.259699D+01  0.245834D+01
      2  -0.202720D+01  0.300945D+01  0.205425D+00  0.245834D+01  0.292294D+00
      3  -0.957419D+00  0.205425D+00 -0.539292D+00  0.328412D+00 -0.974192D+00
                 6             7             8             9            10 
      1   0.328412D+00 -0.132497D+01  0.667195D+00 -0.817051D-01  0.321629D+01
      2  -0.974192D+00  0.667195D+00 -0.144941D+01 -0.507616D+00  0.176142D+01
      3   0.342999D+00 -0.817051D-01 -0.507616D+00  0.784674D+01  0.122889D+01
                11            12            13            14            15 
      1   0.176142D+01  0.122889D+01  0.167861D+01 -0.232588D+01 -0.227793D+00
      2  -0.135160D+01  0.436383D-01 -0.232588D+01 -0.131854D+01  0.569129D+00
      3   0.436383D-01 -0.117161D+01 -0.227793D+00  0.569129D+00  0.466557D+00
                16            17            18            19            20 
      1   0.217935D+01 -0.802953D-01 -0.153591D-01  0.213349D+01  0.195605D+01
      2  -0.802953D-01  0.575120D+00  0.450499D+00  0.195605D+01 -0.267108D+01
      3  -0.153591D-01  0.450499D+00 -0.806051D+01  0.836843D+00  0.166853D+00
                21            22            23            24            25 
      1   0.836843D+00  0.137710D+01 -0.314407D+01 -0.209532D-01  0.107887D+01
      2   0.166853D+00 -0.314407D+01 -0.156454D+01  0.103175D+01  0.378330D+00
      3   0.284445D+00 -0.209532D-01  0.103175D+01  0.855096D+00 -0.216593D+00
                26            27            28            29            30 
      1   0.378330D+00 -0.216593D+00 -0.231606D+01 -0.963969D-01 -0.982723D+00
      2   0.186896D+01  0.401800D+00 -0.963969D-01  0.275661D+01 -0.213282D+00
      3   0.401800D+00 -0.774776D+01 -0.982723D+00 -0.213282D+00 -0.353444D+00
                31            32            33            34            35 
      1   0.637667D+00  0.385442D+01  0.451015D+00 -0.140183D+01  0.104092D+00
      2   0.385442D+01  0.190671D+01 -0.958890D+00  0.104092D+00 -0.126090D+01
      3   0.451015D+00 -0.958890D+00 -0.637186D+00 -0.257449D+00  0.949562D-01
                36            37            38            39            40 
      1  -0.257449D+00  0.596540D+01 -0.925955D-01  0.743865D+00 -0.151973D+01
      2   0.949562D-01 -0.925955D-01  0.128076D+00 -0.518533D+00 -0.637688D+00
      3   0.798321D+01  0.743865D+00 -0.518533D+00 -0.238989D+00 -0.262173D+00
                41            42            43            44            45 
      1  -0.637688D+00 -0.262173D+00  0.275544D+01  0.640598D+00  0.434341D+00
      2  -0.400878D+01  0.747208D+00  0.640598D+00  0.177911D+01 -0.535009D+00
      3   0.747208D+00  0.394273D+00  0.434341D+00 -0.535009D+00 -0.107144D+01
                46            47            48            49            50 
      1  -0.336320D+01 -0.288170D+01 -0.595554D+00 -0.108705D+01  0.192802D+01
      2  -0.288170D+01  0.776331D+00  0.693162D+00  0.192802D+01  0.120471D+01
      3  -0.595554D+00  0.693162D+00  0.368807D+00  0.121768D-01 -0.280763D+00
                51            52            53            54            55 
      1   0.121768D-01 -0.185717D+01  0.250930D-01  0.117477D+00  0.318285D+01
      2  -0.280763D+00  0.250930D-01 -0.105736D+01  0.134783D-01  0.195138D+01
      3  -0.158785D+01  0.117477D+00  0.134783D-01  0.778966D+01  0.140190D+01
                56            57            58            59            60 
      1   0.195138D+01  0.140190D+01  0.319340D+01 -0.273401D+01 -0.183727D+00
      2  -0.133620D+01 -0.634199D-01 -0.273401D+01  0.631778D+01  0.111291D+01
      3  -0.634199D-01  0.701059D+00 -0.183727D+00  0.111291D+01  0.189166D+00
                61            62            63            64            65 
      1   0.286895D+01 -0.109467D+01 -0.571352D+00  0.415693D+00  0.331632D+00
      2  -0.109467D+01  0.222931D+01  0.138803D+01  0.331632D+00 -0.552449D+00
      3  -0.571352D+00  0.138803D+01  0.372314D+00 -0.919856D+00  0.621372D-01
                66            67            68            69            70 
      1  -0.919856D+00  0.464774D+00 -0.479738D+00  0.829138D-01 -0.183232D+01
      2   0.621372D-01 -0.479738D+00  0.687036D-01 -0.100608D+01  0.177999D+00
      3  -0.143601D-01  0.829138D-01 -0.100608D+01  0.263255D+00 -0.391970D+00
                71            72            73            74            75 
      1   0.177999D+00 -0.391970D+00 -0.762003D+01 -0.134835D+00 -0.107926D+01
      2  -0.176576D+01  0.677941D+00 -0.134835D+00  0.546832D+00 -0.194243D+00
      3   0.677941D+00 -0.738256D+01 -0.107926D+01 -0.194243D+00  0.401026D+00
                76            77            78            79            80 
      1   0.283154D+01  0.894360D+00  0.167482D+00 -0.285289D+01 -0.635341D+00
      2   0.894360D+00  0.422803D+01 -0.927251D+00 -0.635341D+00 -0.138471D+01
      3   0.167482D+00 -0.927251D+00  0.823703D+00 -0.136175D+01 -0.333507D-01
                81            82            83            84            85 
      1  -0.136175D+01 -0.631443D+00 -0.311156D+00  0.998229D+00 -0.377519D+00
      2  -0.333507D-01 -0.311156D+00  0.369690D+00  0.139656D-01  0.356459D+00
      3  -0.358003D+00  0.998229D+00  0.139656D-01  0.391603D-01  0.339196D-01
                86            87            88            89            90 
      1   0.356459D+00  0.339196D-01  0.186577D+01  0.197569D+00 -0.546914D+00
      2   0.903244D-01  0.104271D+01  0.197569D+00  0.172821D+01 -0.495698D+00
      3   0.104271D+01 -0.472779D+00 -0.546914D+00 -0.495698D+00  0.758496D+01
                91            92            93            94            95 
      1  -0.164554D+00 -0.388200D+00  0.939927D+00 -0.287058D+00  0.532699D+00
      2  -0.388200D+00  0.491394D+00  0.569965D-01  0.532699D+00  0.415495D+00
      3   0.939927D+00  0.569965D-01  0.324369D-01  0.818310D-01  0.101862D+01
                96            97            98            99           100 
      1   0.818310D-01  0.181315D+01 -0.246389D-01  0.323680D+00  0.399100D+01
      2   0.101862D+01 -0.246389D-01  0.182962D+01  0.425385D+00  0.597285D+00
      3   0.241773D-02  0.323680D+00  0.425385D+00  0.750262D+01 -0.917116D+00
               101           102           103           104           105 
      1   0.597285D+00 -0.917116D+00 -0.188349D+00  0.391164D+01  0.805447D-01
      2   0.547207D+01 -0.758632D-01  0.391164D+01  0.255702D+01 -0.878474D+00
      3  -0.758632D-01  0.479782D+00  0.805447D-01 -0.878474D+00 -0.605263D+00
               106           107           108           109           110 
      1  -0.118539D+01 -0.283821D+00  0.850957D+00  0.257652D+01  0.309518D+00
      2  -0.283821D+00 -0.252681D+01  0.106516D+01  0.309518D+00 -0.246710D+01
      3   0.850957D+00  0.106516D+01 -0.231192D+00  0.167785D+01  0.256813D+00
               111           112           113           114           115 
      1   0.167785D+01  0.521494D+00 -0.394320D+01  0.270530D-01  0.213477D+01
      2   0.256813D+00 -0.394320D+01 -0.254169D+01  0.125954D+01 -0.231361D+00
      3   0.929389D+00  0.270530D-01  0.125954D+01 -0.598081D+00 -0.616702D+00
               116           117           118           119           120 
      1  -0.231361D+00 -0.616702D+00  0.104795D+01  0.205270D+00 -0.100352D+01
      2   0.143630D+01 -0.119342D+01  0.205270D+00 -0.322200D+00  0.518955D-01
      3  -0.119342D+01 -0.718481D+01 -0.100352D+01  0.518955D-01  0.573380D+00
               121           122           123           124           125 
      1   0.160952D+00 -0.389267D+00 -0.241523D+00 -0.211217D+01 -0.178337D+00
      2  -0.389267D+00  0.155008D-01 -0.987521D+00 -0.178337D+00 -0.161594D+01
      3  -0.241523D+00 -0.987521D+00  0.148472D+00  0.924578D+00  0.137900D+00
               126           127           128           129           130 
      1   0.924578D+00 -0.111361D+01 -0.147092D+01  0.182109D+00 -0.175342D+01
      2   0.137900D+00 -0.147092D+01 -0.131916D+01  0.202104D+00 -0.149835D+01
      3  -0.741266D+01  0.182109D+00  0.202104D+00 -0.401681D+00 -0.699798D-01
               131           132           133           134           135 
      1  -0.149835D+01 -0.699798D-01 -0.143546D+00 -0.124776D+00 -0.277779D+00
      2  -0.828061D+01 -0.337400D+00 -0.124776D+00 -0.196070D+01  0.802231D+00
      3  -0.337400D+00  0.807643D+00 -0.277779D+00  0.802231D+00 -0.536294D+01
               136           137           138           139           140 
      1   0.148130D+00  0.852749D-01 -0.110700D+01  0.103086D+00 -0.408254D+00
      2   0.852749D-01 -0.274741D+00 -0.162031D+00 -0.408254D+00 -0.971411D+00
      3  -0.110700D+01 -0.162031D+00 -0.184838D+00  0.109739D-01 -0.975563D+00
               141           142           143           144           145 
      1   0.109739D-01 -0.182349D+01 -0.431538D+00 -0.393653D+00 -0.838174D+01
      2  -0.975563D+00 -0.431538D+00 -0.188356D+01 -0.141597D+01  0.157747D+01
      3  -0.304931D+00 -0.393653D+00 -0.141597D+01 -0.756437D+01 -0.527902D+00
               146           147           148           149           150 
      1   0.157747D+01 -0.527902D+00 -0.120232D+00 -0.659757D+00 -0.894774D-02
      2  -0.186751D+01 -0.842935D-01 -0.659757D+00  0.273349D+00 -0.226828D+00
      3  -0.842935D-01 -0.122898D+01 -0.894774D-02 -0.226828D+00  0.167771D+00
               151           152           153           154           155 
      1  -0.154305D+01  0.262005D+00 -0.978413D+00 -0.256425D+01 -0.183611D+01
      2   0.262005D+00 -0.523808D+00  0.318285D+00 -0.183611D+01 -0.208586D+01
      3  -0.978413D+00  0.318285D+00 -0.125266D+00  0.131593D+00  0.234373D-01
               156           157           158           159           160 
      1   0.131593D+00 -0.397878D+01 -0.299608D+01 -0.143487D+00  0.655056D+00
      2   0.234373D-01 -0.299608D+01 -0.556101D+01  0.234960D+00  0.320162D+00
      3  -0.646889D+00 -0.143487D+00  0.234960D+00 -0.977244D+00 -0.718678D+00
               161           162           163           164           165 
      1   0.320162D+00 -0.718678D+00 -0.194623D+01  0.141147D+01  0.227910D+00
      2   0.679196D+00 -0.624230D+00  0.141147D+01 -0.364568D+01  0.385956D-01
      3  -0.624230D+00 -0.218993D-01  0.227910D+00  0.385956D-01 -0.437767D+00
               166           167           168           169           170 
      1   0.172920D+01 -0.146416D+01 -0.112189D+00  0.372185D+00 -0.169722D+00
      2  -0.146416D+01  0.652182D+01  0.144966D+00 -0.169722D+00  0.788895D+00
      3  -0.112189D+00  0.144966D+00  0.105659D+01 -0.170260D+00  0.860671D+00
               171           172           173           174           175 
      1  -0.170260D+00  0.748257D+01 -0.227647D+01 -0.133476D+01 -0.117821D+01
      2   0.860671D+00 -0.227647D+01  0.340682D+01  0.577585D-02  0.343266D+01
      3  -0.649444D-01 -0.133476D+01  0.577585D-02  0.507249D+00  0.287008D-01
               176           177           178           179           180 
      1   0.343266D+01  0.287008D-01 -0.229886D+01  0.691725D+00  0.167608D+01
      2   0.157178D+01 -0.739794D+00  0.691725D+00 -0.151530D+01 -0.607625D+00
      3  -0.739794D+00  0.653764D+00  0.167608D+01 -0.607625D+00 -0.699655D+00
               181           182           183           184           185 
      1  -0.366123D+00  0.282629D+00  0.103110D+01 -0.254319D+00  0.690136D+00
      2   0.282629D+00  0.231503D+00 -0.118885D+00  0.690136D+00  0.418707D+00
      3   0.103110D+01 -0.118885D+00 -0.282515D+00 -0.451468D-01  0.968128D+00
               186           187           188           189           190 
      1  -0.451468D-01  0.237534D+01 -0.192929D+00  0.130097D+01  0.258265D+01
      2   0.968128D+00 -0.192929D+00  0.153336D+01  0.105142D+01  0.202945D+01
      3  -0.175063D-01  0.130097D+01  0.105142D+01  0.820035D+01 -0.699356D+00
               191           192           193           194           195 
      1   0.202945D+01 -0.699356D+00  0.324531D+01  0.257397D+01 -0.185160D+00
      2   0.205617D+01 -0.184233D+00  0.257397D+01  0.542458D+01 -0.780610D+00
      3  -0.184233D+00  0.618560D+00 -0.185160D+00 -0.780610D+00  0.964535D+00
               196           197           198           199           200 
      1  -0.155557D+01 -0.352172D+00  0.854684D+00 -0.126813D+00 -0.431581D+00
      2  -0.352172D+00 -0.142102D+01  0.101035D+01 -0.431581D+00  0.246251D+00
      3   0.854684D+00  0.101035D+01 -0.188014D+00  0.505097D+00 -0.227130D+00
               201           202           203           204           205 
      1   0.505097D+00 -0.349230D+00  0.212789D-02  0.175615D-01  0.131205D+01
      2  -0.227130D+00  0.212789D-02 -0.124458D+01  0.753147D+00  0.301627D+00
      3   0.603082D+00  0.175615D-01  0.753147D+00 -0.757191D+00 -0.745497D-01
               206           207           208           209           210 
      1   0.301627D+00 -0.745497D-01 -0.172030D+01 -0.551690D+00  0.219158D+00
      2   0.312925D+01 -0.261006D+01 -0.551690D+00 -0.159760D+01  0.211127D-01
      3  -0.261006D+01  0.613239D+01  0.219158D+00  0.211127D-01 -0.380178D-01
               211           212           213           214           215 
      1  -0.225223D+01  0.456254D-01  0.178496D+00  0.520347D+00  0.332024D-01
      2   0.456254D-01 -0.581563D+01  0.190294D+00  0.332024D-01  0.787940D+00
      3   0.178496D+00  0.190294D+00 -0.117821D+01  0.190360D+00 -0.675126D+00
               216 
      1   0.190360D+00
      2  -0.675126D+00
      3   0.637898D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.122251D+01 -0.349936D-01 -0.102823D+01 -0.134559D+01  0.780890D+00
      2   0.137606D+01 -0.334970D+00  0.502253D+00 -0.446747D+00  0.200166D+01
      3  -0.324433D+01 -0.198742D+01 -0.944207D+00  0.337787D+01  0.176390D+01
                 6             7             8             9            10 
      1  -0.335805D+00 -0.167625D+00  0.395769D+01 -0.644354D+01  0.530926D+00
      2   0.761450D+00 -0.287110D+01  0.420181D+00 -0.752723D+01 -0.198451D+01
      3  -0.351071D+00  0.870485D-01 -0.106269D+01 -0.647928D+00  0.866133D+00
                11            12            13            14            15 
      1  -0.564072D+00 -0.557363D-01  0.355904D+00 -0.131384D+01 -0.133564D+01
      2  -0.103494D+01  0.937224D+00  0.125627D+00 -0.213279D+01 -0.168161D+01
      3  -0.545115D+01 -0.655573D+00  0.206059D+00 -0.332768D+00  0.181453D+01
                16            17            18            19            20 
      1  -0.511274D+00  0.220712D+01 -0.376536D+01 -0.973384D+00 -0.377063D+00
      2  -0.331497D+01 -0.124981D+01  0.985407D+01 -0.104691D+01  0.280726D+00
      3  -0.973261D+00  0.102544D+01  0.713554D+00  0.161606D+01  0.682414D-01
                21            22            23            24            25 
      1   0.836013D+00 -0.461539D+00 -0.163299D+01 -0.178130D+00  0.121263D+01
      2   0.145693D+01 -0.766867D+00  0.421715D+00 -0.371157D+00 -0.344769D+01
      3   0.123000D+01  0.576245D+01 -0.403201D+01 -0.103961D+01  0.123857D+01
                26            27            28            29            30 
      1   0.274146D+01  0.792883D+01  0.819120D+00 -0.279747D+00  0.147695D+01
      2  -0.219886D+00 -0.156452D+01 -0.223107D+01 -0.261471D+00  0.513243D-01
      3   0.180009D+00 -0.790523D+00 -0.514508D+01 -0.833992D+01 -0.730872D+00
                31            32            33            34            35 
      1  -0.102790D+01  0.985608D+00  0.140100D+01  0.154535D+01  0.303142D+01
      2  -0.463972D+00 -0.141661D+01 -0.177233D+01 -0.486826D+01  0.172016D+01
      3  -0.517704D+01 -0.219442D+01  0.206306D+01 -0.545272D+00  0.116181D+01
                36            37            38            39            40 
      1  -0.358261D+01  0.873766D+00  0.432478D+00 -0.260846D+01  0.875731D+00
      2   0.133472D+02  0.791697D+00  0.318894D+00  0.773471D+01  0.122244D+00
      3  -0.301809D+00 -0.921679D+01 -0.712353D+01 -0.835029D+00  0.106793D+02
                41            42            43            44            45 
      1   0.728447D+00 -0.571388D+01  0.236629D+01  0.407614D+01  0.199211D+00
      2   0.959630D+00  0.192535D+01 -0.491862D+01 -0.248456D+01  0.876765D+00
      3   0.496536D+01 -0.817729D+00 -0.337542D+01 -0.230194D+01 -0.209371D+00
                46            47            48            49            50 
      1  -0.342678D+00 -0.183124D+00  0.172967D+01 -0.736268D+00 -0.117754D+01
      2   0.130851D+01  0.105758D+00 -0.408304D+01 -0.641880D+00  0.150768D+01
      3   0.314023D+01  0.466464D+01  0.101135D+01  0.349298D+01  0.986761D+00
                51            52            53            54            55 
      1  -0.692790D+00 -0.114526D+01  0.310147D+01  0.112405D+02 -0.297332D+01
      2  -0.151537D+00 -0.407083D+01 -0.134511D+01 -0.816370D+01 -0.584842D+01
      3  -0.123653D+01  0.255564D+01 -0.104137D+01 -0.215858D+00  0.138522D+02
                56            57            58            59            60 
      1   0.558264D-01  0.575826D+00  0.132082D+01 -0.182538D+01 -0.531963D+01
      2   0.153893D+01  0.169557D+01  0.165897D+00 -0.191870D+01 -0.256171D+01
      3  -0.169006D+01  0.247901D+01  0.778007D+01  0.857378D+01  0.112529D+01
                61            62            63            64            65 
      1   0.441108D+00  0.970484D+00 -0.229496D+01  0.733525D+00 -0.947501D-01
      2  -0.393078D+01 -0.159537D+01 -0.231318D+01  0.153112D+01 -0.232636D+00
      3   0.508629D+01  0.332692D+01  0.148368D+01  0.808069D+00 -0.118408D+01
                66            67            68            69            70 
      1  -0.489773D+00 -0.156751D+00  0.130745D+01 -0.672971D+00 -0.476732D-01
      2   0.715023D+00 -0.591608D-01  0.860731D+00  0.239028D+00 -0.371463D+01
      3  -0.733928D+00  0.962258D+00 -0.367781D+00 -0.970503D+00 -0.195511D+01
                71            72            73            74            75 
      1   0.354315D+01  0.711723D+01 -0.144162D+01 -0.422593D+00 -0.363221D+00
      2  -0.379495D+00  0.820322D+01  0.336404D+01  0.164640D+01  0.591927D+01
      3  -0.195093D+01  0.550858D+00  0.680404D+01 -0.373012D+01  0.270998D+00
                76            77            78            79            80 
      1  -0.210268D+01 -0.255650D+01 -0.101934D+01  0.432540D+00  0.397957D+01
      2   0.772747D+00  0.321986D+01 -0.187243D+01 -0.171261D+00 -0.552377D+00
      3   0.444556D+01  0.175345D+02 -0.215420D+01  0.100263D+01 -0.492481D+01
                81            82            83            84            85 
      1  -0.751771D+00  0.355001D+00  0.346328D+00  0.438455D+00  0.556764D+00
      2   0.272367D+01 -0.192243D+01 -0.167909D-01  0.270525D+00  0.235456D+00
      3   0.823955D+00 -0.116346D+00 -0.226338D+00 -0.297697D+00  0.162811D+01
                86            87            88            89            90 
      1   0.622960D+00 -0.147181D+01  0.790101D-01  0.400567D+01  0.273637D+01
      2  -0.164769D+01  0.298243D+00 -0.335864D+01  0.531038D+00 -0.114902D+02
      3   0.267281D+00  0.124584D+01 -0.658986D+00  0.283309D+01 -0.887764D-01
                91            92            93            94            95 
      1  -0.155186D+01  0.992697D-01  0.239837D+00 -0.151121D+00 -0.141659D+01
      2   0.261450D+00  0.654441D+00  0.642102D+00  0.581295D+00  0.262600D+00
      3   0.259150D-01 -0.153397D+01  0.110929D+01  0.441388D+00  0.396560D+00
                96            97            98            99           100 
      1  -0.334112D+00 -0.407651D+00  0.356842D+01 -0.914951D+01  0.226721D+01
      2  -0.368854D+00 -0.453592D+01  0.110569D+00  0.174162D+01  0.281150D+00
      3  -0.173720D+00  0.248036D+01 -0.796960D+00  0.257438D+00  0.135841D+02
               101           102           103           104           105 
      1  -0.914623D+00 -0.332625D+01 -0.591389D+00  0.417639D+01 -0.408729D+01
      2  -0.134512D+01  0.312789D+01  0.487878D+00  0.340407D+00  0.148588D+01
      3  -0.986854D+01 -0.174540D+01 -0.422181D+00  0.843252D+01  0.112536D+01
               106           107           108           109           110 
      1  -0.239157D+01  0.200781D+01  0.234306D+01 -0.155616D+01 -0.113918D+01
      2  -0.224561D+01  0.114206D+01 -0.611964D+00  0.399476D+01  0.998762D+00
      3  -0.420648D+01  0.145164D+01  0.116022D+01  0.300492D+01  0.609223D+01
               111           112           113           114           115 
      1  -0.211068D+01 -0.238537D+01 -0.313060D+01  0.461602D+00 -0.109259D+00
      2   0.192018D+01  0.141407D+01  0.477834D+01 -0.325722D-01 -0.632521D+01
      3  -0.234877D+00  0.146977D+02  0.420899D+01 -0.354866D+01  0.109371D+01
               116           117           118           119           120 
      1   0.222763D+01  0.485801D+01  0.278470D+00  0.414673D+00  0.300407D+00
      2  -0.298455D+01 -0.187558D+02 -0.110191D+01  0.197747D+00  0.164031D+01
      3  -0.461942D+01  0.321229D+01 -0.957700D-01  0.291418D+00 -0.395329D+00
               121           122           123           124           125 
      1   0.192316D+00  0.526195D-01 -0.551124D+00 -0.263050D-01  0.386482D+01
      2  -0.375932D+00 -0.162954D+01  0.163395D+00 -0.348067D+01 -0.464055D-01
      3   0.242062D+01 -0.697950D+00  0.148083D+01 -0.222128D+00  0.283443D+01
               126           127           128           129           130 
      1   0.232764D+01 -0.267272D-02  0.131904D+00 -0.192700D+01  0.300322D+00
      2  -0.107612D+02  0.108542D+00 -0.156466D+01  0.476352D+01  0.556364D+00
      3  -0.859496D+00  0.262954D+01 -0.169513D+01  0.783946D+00  0.941087D+01
               131           132           133           134           135 
      1  -0.420856D-01 -0.448410D+01 -0.844804D-01  0.557315D+01 -0.165633D+02
      2   0.173697D-01  0.155510D+00 -0.147353D+00 -0.809943D+00  0.479207D+01
      3  -0.423032D+01 -0.787486D-01  0.406624D+00 -0.632209D+00  0.190196D+01
               136           137           138           139           140 
      1  -0.202367D+01 -0.164263D+00 -0.440228D+00  0.266013D+00 -0.114477D+01
      2   0.867508D+00  0.198388D+00  0.732979D+00  0.544542D+00  0.635697D+00
      3  -0.465199D-01 -0.162787D+01  0.193330D+01  0.216654D+00  0.285421D+00
               141           142           143           144           145 
      1  -0.907983D+00 -0.129019D+00  0.246928D+01 -0.111410D+02  0.167933D+01
      2   0.465163D-01 -0.395983D+01  0.760656D+00  0.648821D+01  0.468513D+01
      3  -0.548271D+00  0.335057D+01 -0.560985D+00  0.426594D+00 -0.173156D+02
               146           147           148           149           150 
      1   0.407711D-01  0.240340D+01  0.597062D-01  0.520036D+00 -0.105561D+00
      2  -0.372953D+00  0.420522D+01  0.219158D+00  0.538007D+00 -0.106287D+00
      3  -0.308604D+01 -0.182975D+01 -0.205025D+01 -0.239177D+01 -0.707789D+00
               151           152           153           154           155 
      1   0.182215D+01  0.300283D+00  0.274289D+00  0.863018D+00  0.929442D+00
      2   0.210744D+01 -0.704720D+00  0.741594D+00 -0.858850D+00 -0.710264D+00
      3  -0.376610D+01 -0.116541D+01 -0.131061D+01 -0.428844D+01 -0.528076D+01
               156           157           158           159           160 
      1  -0.991633D+00  0.141624D+01  0.254482D+01 -0.204123D+01 -0.981308D+00
      2   0.190328D+01 -0.867537D+00 -0.212418D+01  0.345046D+01  0.887870D+00
      3  -0.937826D-01 -0.429374D+01 -0.186390D+02  0.117119D+01  0.912365D-01
               161           162           163           164           165 
      1  -0.542226D-01  0.345693D+00 -0.137632D+01  0.118396D+01  0.206942D+01
      2   0.189208D+01  0.283178D-01 -0.301833D+00  0.601484D+00 -0.891776D-01
      3   0.266411D+01 -0.104440D+01 -0.103145D+02  0.726917D+01  0.105240D+01
               166           167           168           169           170 
      1   0.111495D+01 -0.204991D+01 -0.359006D+01  0.718298D+00 -0.155500D+01
      2   0.348872D+00 -0.795257D+00 -0.113101D+00 -0.100432D+01  0.142778D+00
      3   0.824409D+01 -0.104873D+02 -0.592987D+00  0.203602D+01 -0.132609D+01
               171           172           173           174           175 
      1  -0.105506D+00 -0.452871D+00 -0.494214D+00  0.318828D+01  0.366044D+00
      2  -0.211892D+00 -0.429218D+01  0.113963D+01  0.686725D+01 -0.877708D+00
      3  -0.969602D+00  0.169338D+01 -0.185550D+02 -0.207152D+00 -0.102146D+02
               176           177           178           179           180 
      1  -0.227370D+01 -0.328575D+01  0.258868D-01  0.408069D+01 -0.192076D+01
      2  -0.257387D+01 -0.682310D+00  0.236939D+01 -0.196544D+01 -0.326075D+01
      3  -0.838425D+01  0.273497D+01 -0.534448D-01  0.597816D+01  0.160413D+01
               181           182           183           184           185 
      1  -0.254736D+00 -0.984936D-01 -0.570528D-01  0.260684D+00 -0.179086D+00
      2   0.387411D+01 -0.785258D+00 -0.433663D+00 -0.257833D+00  0.257717D+01
      3  -0.122432D+01 -0.113245D+01  0.737312D+00 -0.898943D+00 -0.786132D+00
               186           187           188           189           190 
      1  -0.706395D-01 -0.969348D+00  0.347839D+01 -0.372949D+01  0.134391D+01
      2   0.514109D-01 -0.140018D+01  0.337274D+01  0.223159D+02 -0.249026D+01
      3  -0.243409D+01  0.161050D+01 -0.441161D+01 -0.273411D+01 -0.426186D+01
               191           192           193           194           195 
      1   0.785006D+00 -0.124264D+01  0.103246D+01  0.218623D+01 -0.253512D+01
      2  -0.991573D+00  0.278813D+01 -0.106148D+01 -0.321188D+01  0.358343D+01
      3  -0.572019D+01  0.179299D+00 -0.307152D+01 -0.161223D+02  0.238045D+01
               196           197           198           199           200 
      1  -0.837926D+00 -0.143199D+00  0.473132D+00  0.156152D+01 -0.363878D+00
      2   0.163392D+01  0.302303D+01 -0.836605D+00 -0.108169D+01 -0.194426D+00
      3  -0.378002D+00  0.443986D+01 -0.248552D+01 -0.649807D+00  0.487350D+00
               201           202           203           204           205 
      1   0.200074D+01  0.880311D-01  0.277984D+01 -0.238813D+01 -0.179134D+00
      2  -0.653775D+00 -0.540387D+00 -0.103440D+01  0.853027D+00 -0.234937D+01
      3  -0.147817D+01  0.918246D+00 -0.112324D+01  0.681314D+00 -0.364765D+01
               206           207           208           209           210 
      1  -0.558408D+01  0.191199D+02  0.420989D+00  0.711337D+00 -0.618097D+00
      2   0.251188D+01 -0.574356D+01  0.877603D+00 -0.415080D-01 -0.804293D+00
      3   0.204050D+01 -0.254263D+01  0.721121D+01  0.791434D+01 -0.402016D+00
               211           212           213           214           215 
      1   0.591039D+00  0.226310D+01 -0.255126D+01  0.280915D-01 -0.402961D+00
      2   0.785360D+00  0.364065D+00 -0.329981D+01 -0.878804D+00 -0.197241D+01
      3   0.543948D+01  0.230570D+02 -0.100702D+01 -0.125734D+01 -0.314157D+01
               216 
      1   0.280794D+00
      2  -0.339167D-01
      3   0.206595D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.496936D+01 -0.208967D+01  0.481612D+00  0.578910D+01 -0.166305D+01
      2  -0.546359D+01  0.962255D+01 -0.111807D+01  0.106941D+01 -0.468280D+01
      3   0.494229D+00 -0.753288D+01  0.636460D+00 -0.685851D+01  0.634585D+01
      4   0.530932D+01 -0.121380D+02 -0.139396D+01 -0.153668D+02  0.743999D+01
      5   0.311202D+01 -0.165388D+01 -0.208952D+01 -0.333733D+01  0.155692D+01
      6  -0.115539D+01  0.246689D+01  0.296932D+01  0.279945D+01 -0.330824D+01
                 6             7             8             9            10 
      1   0.575557D+00  0.332180D+01  0.666255D+00  0.676911D+01 -0.183420D+02
      2  -0.188171D+00  0.955119D+00 -0.543987D+01  0.502246D+01  0.893496D+01
      3  -0.387387D+00 -0.427692D+01  0.477362D+01 -0.117916D+02  0.940704D+01
      4   0.231855D+01 -0.436883D+01  0.665455D+01  0.948020D+00 -0.674120D+01
      5   0.257809D+01  0.657329D+00  0.178461D+01 -0.180214D+02 -0.644382D+01
      6  -0.399811D+01  0.851975D+00 -0.635677D+00  0.159375D+02 -0.952719D+00
                11            12            13            14            15 
      1  -0.666902D+01 -0.164355D+01 -0.936026D+01  0.742216D+01  0.111539D+01
      2   0.292604D+01  0.378287D+01  0.611043D+01 -0.381190D+01 -0.774619D+00
      3   0.374298D+01 -0.213931D+01  0.324984D+01 -0.361026D+01 -0.340775D+00
      4  -0.286413D+01 -0.698608D+00  0.629571D+01  0.311346D+01 -0.871658D+00
      5  -0.119642D+01 -0.222755D+01  0.119570D+00 -0.268267D+00 -0.390600D+01
      6  -0.191428D+01 -0.328764D-01 -0.666827D+00 -0.729266D+00  0.153982D+00
                16            17            18            19            20 
      1  -0.112825D+02 -0.190261D+01  0.799896D+01 -0.730328D+01  0.770680D+01
      2   0.549985D+01 -0.583647D+00  0.520342D+01  0.551192D+01 -0.120872D+02
      3   0.578262D+01  0.248626D+01 -0.132024D+02  0.179136D+01  0.438038D+01
      4  -0.121853D+01 -0.155467D+01 -0.135621D+01  0.264499D+01 -0.212688D+01
      5  -0.174996D+00 -0.185922D+01  0.253348D+02  0.180636D+01  0.128057D+01
      6   0.586949D-01 -0.602086D+00  0.992487D+01  0.983594D+00  0.161422D+01
                21            22            23            24            25 
      1  -0.742844D+00  0.447307D+01  0.383278D+01 -0.305117D+01 -0.911920D+00
      2  -0.873225D+00 -0.909361D+01 -0.987675D+01  0.771799D+00  0.312431D+01
      3   0.161607D+01  0.462054D+01  0.604398D+01  0.227937D+01 -0.221239D+01
      4   0.114001D+01 -0.516349D+01 -0.891355D+01 -0.196445D+00  0.301143D+01
      5  -0.784273D+00  0.165777D+01  0.106797D+01 -0.101083D+01  0.204289D+00
      6  -0.174256D+01 -0.935544D-01  0.427528D+01 -0.343899D+01 -0.112905D+01
                26            27            28            29            30 
      1  -0.324731D+01  0.506703D+01 -0.111460D+02 -0.629592D+00 -0.367348D+01
      2   0.756477D+01  0.852438D+01  0.434746D+01 -0.574440D-02  0.202276D+01
      3  -0.431746D+01 -0.135914D+02  0.679851D+01  0.635336D+00  0.165072D+01
      4   0.281925D+01 -0.198466D+00 -0.488910D+01 -0.388606D+00 -0.151439D+01
      5   0.982581D-02 -0.427130D+01 -0.491968D+01 -0.778023D+00 -0.380465D+01
      6   0.144218D+01 -0.198311D+02 -0.229713D+01 -0.380529D-01 -0.237273D+01
                31            32            33            34            35 
      1   0.238362D+00  0.135960D+02 -0.153514D+00 -0.363403D+01  0.102679D-02
      2   0.727315D+00 -0.139470D+02 -0.188541D+01  0.961367D-01 -0.141561D+01
      3  -0.965677D+00  0.351012D+00  0.203892D+01  0.353789D+01  0.141458D+01
      4  -0.356269D+01  0.290962D+00 -0.196154D+01  0.115063D+01 -0.775036D+00
      5   0.169527D+01 -0.160046D+01 -0.487199D+01 -0.201088D+01  0.700117D+00
      6  -0.136762D+00  0.105058D+01 -0.434515D+01 -0.128868D+01  0.171101D+00
                36            37            38            39            40 
      1   0.561404D+01  0.164665D+02 -0.278369D+01 -0.497484D+00 -0.648594D+00
      2   0.622385D+01 -0.112027D+02  0.223261D+01 -0.136956D+01  0.454757D-02
      3  -0.118379D+02 -0.526382D+01  0.551072D+00  0.186705D+01  0.644047D+00
      4   0.110311D+01 -0.877058D+01  0.984859D+01 -0.147266D+01  0.105681D+02
      5   0.245999D+02  0.199220D+01 -0.164403D+00  0.124466D+02 -0.122819D+01
      6   0.386100D+01 -0.749130D+00  0.193526D+01  0.540118D+01  0.333282D-01
                41            42            43            44            45 
      1  -0.106971D+02  0.267533D+01  0.530613D+01  0.348209D+01 -0.343781D+01
      2   0.152354D+02 -0.713304D+00 -0.525273D+01 -0.393487D+01 -0.298228D+01
      3  -0.453832D+01 -0.196203D+01 -0.533981D-01  0.452776D+00  0.642009D+01
      4  -0.186017D+01  0.906283D+00 -0.391593D+01  0.985505D+00 -0.239496D+01
      5   0.447447D+00  0.475528D+01  0.528065D+01 -0.528129D+00  0.896213D+00
      6  -0.302561D+01  0.851332D+01 -0.814522D+00  0.496998D+01  0.416233D+00
                46            47            48            49            50 
      1  -0.156358D+02  0.795748D+01  0.410021D+01 -0.126014D+01  0.593177D+01
      2   0.144478D+02 -0.889622D+01 -0.938433D+00 -0.300494D+01 -0.170240D+02
      3   0.118794D+01  0.938739D+00 -0.316178D+01  0.426508D+01  0.110922D+02
      4   0.507390D+01 -0.440852D+01  0.671462D+00 -0.100081D+02 -0.948128D+01
      5   0.140685D+00  0.933710D-01 -0.832449D+01  0.125040D+01  0.718034D+00
      6   0.122080D-01 -0.243286D+01 -0.478989D+01  0.804872D+00  0.160896D+01
                51            52            53            54            55 
      1  -0.420282D+00  0.136416D+01 -0.498408D+00  0.628721D+01 -0.206536D+02
      2   0.663438D+00  0.787493D+00  0.708264D+01  0.772319D+01  0.158015D+02
      3  -0.243156D+00 -0.215165D+01 -0.658423D+01 -0.140104D+02  0.485203D+01
      4   0.148197D+01  0.319129D+01  0.413240D+00  0.564749D+00  0.453366D+01
      5  -0.337998D+00 -0.199440D+01 -0.102829D+01 -0.132394D+02 -0.682219D+01
      6  -0.311132D+01 -0.728586D+00 -0.909425D+00 -0.261582D+02  0.675315D+01
                56            57            58            59            60 
      1  -0.817330D+00 -0.500426D+01 -0.688866D+01 -0.881030D+01 -0.344791D+01
      2  -0.443100D+01  0.377548D+01 -0.300713D+01  0.249700D+02  0.246688D+01
      3   0.524833D+01  0.122877D+01  0.989579D+01 -0.161597D+02  0.981030D+00
      4   0.159485D+02  0.490510D+01  0.247762D+02 -0.301783D+02 -0.474230D+01
      5   0.175341D+01  0.491194D+01  0.223074D+01 -0.484794D+01 -0.452085D+01
      6  -0.187938D+01 -0.117861D+01 -0.240052D+01  0.673312D+01  0.985839D+01
                61            62            63            64            65 
      1  -0.976612D+01 -0.222577D+01 -0.492956D+01 -0.433047D+00 -0.330476D+00
      2   0.348716D+01  0.665177D+01  0.113783D+01 -0.210899D+01 -0.555688D+00
      3   0.627896D+01 -0.442600D+01  0.379173D+01  0.254203D+01  0.886164D+00
      4   0.128865D+02 -0.112742D+02 -0.598501D+01 -0.460333D+00  0.327718D+01
      5   0.643365D+01 -0.671135D+01 -0.490002D+01  0.276955D+01 -0.650115D+00
      6  -0.352059D+01  0.107119D+02  0.481369D+01 -0.214016D+01 -0.326406D+00
                66            67            68            69            70 
      1   0.263651D+01 -0.305277D+00 -0.249112D+01  0.182665D+01  0.334315D+01
      2  -0.137015D+01 -0.595289D+00  0.617097D+00 -0.256868D+01 -0.229411D+01
      3  -0.126637D+01  0.900566D+00  0.187403D+01  0.742032D+00 -0.104904D+01
      4  -0.227237D+01  0.323910D+01 -0.104423D+01  0.261275D+01 -0.383844D+01
      5   0.581420D+01 -0.656405D-03  0.236318D+01 -0.105282D+00  0.480106D+01
      6   0.613786D+00  0.414717D+00 -0.316282D+01  0.627139D+01 -0.116605D+01
                71            72            73            74            75 
      1   0.283738D+01 -0.140076D+02  0.520059D+02  0.404926D+00  0.441927D+01
      2  -0.275051D+01 -0.127861D+02 -0.324374D+02 -0.166602D+01 -0.526911D+01
      3  -0.868694D-01  0.267937D+02 -0.195685D+02  0.126110D+01  0.849843D+00
      4   0.432502D+01 -0.133948D+01  0.409430D+01  0.299503D+01  0.193790D+01
      5  -0.171209D+01  0.183377D+02  0.926256D+01  0.163210D+01  0.105637D+02
      6   0.522692D+01 -0.172297D+02  0.135545D+01  0.110523D+01  0.377986D+00
                76            77            78            79            80 
      1  -0.125509D+02 -0.451156D+01 -0.143941D+01  0.155019D+02  0.214823D+01
      2   0.426387D+01 -0.145964D+01  0.170468D+01 -0.969814D+01  0.635000D+00
      3   0.828700D+01  0.597120D+01 -0.265268D+00 -0.580380D+01 -0.278323D+01
      4  -0.777828D+01 -0.255041D+02  0.420547D+01  0.562272D+01  0.801028D+01
      5  -0.348046D-02  0.515975D+01 -0.280068D+01  0.140875D+02  0.377664D+00
      6  -0.132606D+00  0.731602D+00  0.284611D+01  0.192968D+01  0.329636D+01
                81            82            83            84            85 
      1   0.494813D+01  0.218656D+01  0.130421D+01 -0.455990D+01  0.128870D+01
      2  -0.820028D+01 -0.371803D+01 -0.934654D+00  0.238414D+01 -0.803019D+00
      3   0.325214D+01  0.153147D+01 -0.369551D+00  0.217576D+01 -0.485676D+00
      4   0.589751D+00  0.105208D+01  0.839928D+00 -0.764587D+00  0.103356D+01
      5   0.580932D+01 -0.390558D+01 -0.219288D+00  0.516860D+01  0.182119D-01
      6   0.141595D+01 -0.773065D+00  0.248311D+00 -0.570746D+00 -0.767716D+00
                86            87            88            89            90 
      1  -0.414938D+01  0.147233D+01 -0.601082D+01  0.117225D+01 -0.140414D+02
      2   0.846492D+00 -0.101013D+01  0.463062D+01 -0.774354D+00 -0.137688D+02
      3   0.330289D+01 -0.462194D+00  0.138020D+01 -0.397901D+00  0.278102D+02
      4  -0.499432D-01 -0.350062D+01 -0.219832D+01 -0.492879D+01  0.111950D+01
      5  -0.375166D+01  0.935944D+00  0.588806D+01  0.187153D+01 -0.261584D+02
      6  -0.172618D+01  0.726802D+01  0.444491D+00  0.496843D+01 -0.794614D+01
                91            92            93            94            95 
      1   0.131682D+01 -0.115314D+01  0.840612D+00 -0.161860D+01 -0.329548D+01
      2  -0.401056D+01  0.153338D+01 -0.195741D+00  0.181184D+01  0.113760D+01
      3   0.269374D+01 -0.380243D+00 -0.644871D+00 -0.193238D+00  0.215788D+01
      4  -0.473100D+00  0.154554D+01  0.224449D+01  0.177757D+01  0.104894D+01
      5   0.841604D+00  0.460407D+00  0.578696D+01 -0.358701D-01  0.681851D+00
      6   0.280727D+01  0.119601D-01 -0.262626D+00  0.275503D+00  0.300171D+01
                96            97            98            99           100 
      1  -0.191865D+01  0.764825D+00 -0.432667D+01 -0.149508D+02  0.988847D+01
      2   0.365381D+01 -0.113156D+01  0.540800D+01 -0.140190D+02 -0.500104D+01
      3  -0.173516D+01  0.366734D+00 -0.108133D+01  0.289699D+02 -0.488743D+01
      4   0.917979D+00  0.337524D+01  0.138715D+01  0.363436D+00  0.174303D+02
      5  -0.315769D+00  0.442566D+01  0.228174D+00  0.494991D+01 -0.187061D+01
      6   0.559368D+01  0.973771D+00  0.519906D+01  0.207447D+02 -0.430273D+01
               101           102           103           104           105 
      1  -0.188156D+02  0.236839D+00 -0.110010D+02 -0.553993D+01  0.473753D+01
      2   0.325382D+02  0.110338D+01  0.205644D+02  0.129890D+02 -0.367860D+01
      3  -0.137226D+02 -0.134022D+01 -0.956347D+01 -0.744911D+01 -0.105893D+01
      4   0.110581D+02 -0.354632D+01  0.113509D+02  0.232393D+02 -0.839767D+00
      5  -0.614525D+00  0.596251D+01 -0.743289D+00 -0.256016D+01  0.203293D+01
      6  -0.105630D+01  0.519340D+01  0.153993D+00 -0.670872D+01  0.813629D+01
               106           107           108           109           110 
      1  -0.619825D+00  0.888476D+01 -0.485537D+01  0.501985D+01  0.282626D+01
      2  -0.269310D+00 -0.133813D+02  0.150384D+01 -0.526909D+01 -0.195059D+01
      3   0.889135D+00  0.449656D+01  0.335152D+01  0.249241D+00 -0.875673D+00
      4  -0.569521D+01 -0.392634D+01  0.465665D+01  0.635700D+01 -0.165075D+02
      5   0.503962D+01  0.267344D+01 -0.108956D+01  0.122057D+02  0.143028D+01
      6   0.546791D+01  0.105811D+02 -0.482868D+01  0.283682D+01  0.216311D+01
               111           112           113           114           115 
      1   0.558119D+01  0.112824D+02 -0.193491D+02  0.181965D+01  0.136806D+02
      2  -0.545688D+01 -0.881172D+01  0.448687D+01  0.331952D+01 -0.425343D+01
      3  -0.124306D+00 -0.247073D+01  0.148623D+02 -0.513918D+01 -0.942720D+01
      4   0.255472D+01 -0.271071D+02 -0.144097D+02  0.657168D+01 -0.248672D+01
      5   0.238602D+00 -0.103021D+01  0.733685D+01  0.109973D+01 -0.389109D+01
      6   0.402411D+01  0.745477D+00  0.123827D+01 -0.325533D+01 -0.346142D+00
               116           117           118           119           120 
      1   0.310956D+00  0.784209D+01  0.348039D+01  0.854481D+00 -0.261727D+01
      2   0.178454D+01  0.962092D+01 -0.457307D+01 -0.670278D+00  0.172978D+01
      3  -0.209549D+01 -0.174630D+02  0.109269D+01 -0.184203D+00  0.887487D+00
      4   0.923626D+01 -0.806311D+01  0.581753D+00  0.119842D+01  0.309490D+00
      5  -0.642597D+01 -0.359682D+02 -0.321303D+01  0.230129D+00  0.701823D+01
      6  -0.825794D+00 -0.301786D+01 -0.277376D+00 -0.893432D-01 -0.332277D+00
               121           122           123           124           125 
      1   0.100586D+01 -0.432236D+01 -0.553166D+00 -0.497673D+01  0.942843D+00
      2  -0.884688D+00  0.139599D+01  0.204106D+00  0.583478D+01 -0.161587D+00
      3  -0.121177D+00  0.292636D+01  0.349060D+00 -0.858050D+00 -0.781257D+00
      4   0.160981D+01  0.332499D+00 -0.213802D+01 -0.309976D+00 -0.296216D+01
      5  -0.689032D+00 -0.307030D+01  0.864344D+00  0.681363D+01  0.537014D+00
      6  -0.650260D+00 -0.400625D+00  0.645788D+01  0.707068D+00  0.419179D+01
               126           127           128           129           130 
      1  -0.139763D+02  0.559659D+01 -0.361360D+01  0.113059D+01 -0.943813D+00
      2  -0.138366D+02  0.263010D+01  0.859888D+01 -0.532042D+00  0.676530D+01
      3   0.278129D+02 -0.822669D+01 -0.498528D+01 -0.598545D+00 -0.582149D+01
      4   0.113266D+00  0.680090D+01  0.144018D+02 -0.272635D+00  0.171531D+02
      5  -0.214784D+02 -0.116801D+01 -0.965305D+00  0.557396D+01 -0.116631D+01
      6  -0.252607D+01 -0.615041D+00 -0.182466D+01  0.399084D+01 -0.324497D+00
               131           132           133           134           135 
      1  -0.293162D+02 -0.688611D+00 -0.206002D+00 -0.671387D+01  0.571657D+01
      2   0.554186D+02  0.141253D+01  0.681980D+00  0.570282D+01 -0.918056D+00
      3  -0.261023D+02 -0.723916D+00 -0.475977D+00  0.101104D+01 -0.479851D+01
      4   0.208802D+02 -0.190064D+00  0.833451D+00  0.167677D+01  0.110651D+01
      5   0.580126D-03  0.684499D+00  0.393571D+01 -0.480966D+00  0.796219D+01
      6  -0.420167D+00  0.669331D+01  0.220690D+01 -0.941336D-01  0.281447D+02
               136           137           138           139           140 
      1   0.475508D+00 -0.721121D+00  0.116124D+01 -0.967104D+00 -0.498334D+01
      2  -0.303367D+01  0.781655D+00 -0.312143D+00  0.131829D+01  0.362555D+01
      3   0.255817D+01 -0.605339D-01 -0.849101D+00 -0.351182D+00  0.135780D+01
      4  -0.211209D+00  0.280659D+01  0.319488D+01  0.213207D+01  0.175631D+01
      5   0.164995D+01  0.100694D+01  0.659844D+01  0.131110D+00  0.115014D+01
      6   0.400401D+01  0.254241D+00  0.823153D+00  0.146086D+00  0.395524D+01
               141           142           143           144           145 
      1  -0.207775D+01  0.727103D+00 -0.659349D+01 -0.169260D+02  0.424555D+02
      2   0.356654D+01 -0.721965D+00  0.474211D+01 -0.106970D+02 -0.200088D+02
      3  -0.148880D+01 -0.513813D-02  0.185138D+01  0.276229D+02 -0.224467D+02
      4   0.990696D+00  0.440153D+01  0.326635D+01  0.116305D+01 -0.308280D+02
      5  -0.846569D-01  0.492947D+01  0.209862D+01  0.104877D+02  0.186329D+01
      6   0.677472D+01  0.157232D+01  0.903417D+01  0.256961D+02 -0.329328D+01
               146           147           148           149           150 
      1  -0.381653D+01  0.393556D+01  0.262911D+01  0.199240D+01  0.611014D+00
      2  -0.266370D+01 -0.162102D+01 -0.353491D+01  0.593488D+00 -0.802220D+00
      3   0.648023D+01 -0.231454D+01  0.905801D+00 -0.258589D+01  0.191206D+00
      4   0.121347D+02 -0.188723D+01  0.380343D+01 -0.215657D+01  0.859671D+00
      5   0.165243D+00  0.584305D+01  0.912969D-01  0.956786D+00 -0.547923D+00
      6  -0.382048D+00 -0.434798D+01 -0.155453D+00 -0.676242D+00  0.365930D+00
               151           152           153           154           155 
      1   0.736548D+01 -0.806922D-01  0.352421D+01  0.138794D+02  0.891036D+01
      2  -0.367119D+01 -0.117045D+01 -0.286395D+01 -0.416535D+01 -0.145708D+01
      3  -0.369429D+01  0.125114D+01 -0.660256D+00 -0.971408D+01 -0.745328D+01
      4  -0.588105D+01  0.260073D+01 -0.356459D+01  0.133976D+02  0.149879D+02
      5   0.670636D+01 -0.143132D+01  0.127659D+01 -0.500271D+00 -0.157399D+00
      6  -0.371486D+01  0.200408D+01 -0.400900D+00  0.639381D-01  0.659843D+00
               156           157           158           159           160 
      1  -0.100989D+01  0.188294D+02  0.897835D+01  0.302449D+00 -0.335279D+01
      2   0.217806D+00 -0.500029D+01  0.607051D+01 -0.123596D+01  0.142005D+01
      3   0.792086D+00 -0.138291D+02 -0.150489D+02  0.933508D+00  0.193274D+01
      4  -0.504630D+00  0.241579D+02  0.341968D+02 -0.130982D+01 -0.295150D+01
      5   0.349933D+01  0.476484D+00 -0.171733D+01  0.560620D+01  0.510871D+01
      6   0.134319D+01  0.106813D+01  0.100241D+01  0.254969D+01  0.216550D+01
               161           162           163           164           165 
      1  -0.115800D+01  0.146624D+01 -0.542451D+01  0.147673D+02  0.262736D-01
      2  -0.597603D+00 -0.108356D+01  0.916818D+01 -0.235824D+02 -0.557121D+00
      3   0.175560D+01 -0.382687D+00 -0.374367D+01  0.881513D+01  0.530847D+00
      4  -0.415248D+01  0.424919D+01 -0.814156D+01  0.685154D+01  0.974551D+00
      5   0.410812D+01  0.893697D-01  0.483198D+00 -0.669092D+00 -0.507067D+00
      6   0.322542D+01 -0.413452D+00  0.123429D+01 -0.565751D-01 -0.278943D+01
               166           167           168           169           170 
      1   0.756857D+01 -0.249043D+02 -0.596031D+00  0.790894D+00 -0.333414D+01
      2  -0.113567D+02  0.419948D+02  0.160658D+01 -0.129733D+01  0.508825D+01
      3   0.378810D+01 -0.170904D+02 -0.101055D+01  0.506437D+00 -0.175410D+01
      4   0.791506D+01 -0.567159D+01 -0.342589D+00  0.140242D+01 -0.490040D+00
      5  -0.554100D+00  0.793554D+00  0.408767D+00  0.104619D+01  0.121249D-01
      6  -0.557742D+00  0.877709D+00  0.565330D+01 -0.164683D+01  0.645860D+01
               171           172           173           174           175 
      1  -0.385903D+01  0.595126D+02 -0.854112D+01 -0.694072D+01 -0.921165D+01
      2   0.380792D+01 -0.313325D+02 -0.191499D+01  0.609332D+01  0.100854D+01
      3   0.511054D-01 -0.281801D+02  0.104561D+02  0.847400D+00  0.820311D+01
      4  -0.986502D+00 -0.226688D+02  0.284267D+02  0.113405D+01  0.287561D+02
      5  -0.481421D+00 -0.100253D+02  0.477263D+00  0.134252D+02  0.117525D+01
      6   0.172437D+00  0.866531D+00 -0.614620D+00 -0.423330D+01 -0.501138D+00
               176           177           178           179           180 
      1   0.249312D+02 -0.334868D+01 -0.152029D+02  0.128510D+01  0.722800D+01
      2  -0.149107D+02  0.717818D+00  0.844898D+01  0.154292D+01 -0.972637D+01
      3  -0.100204D+02  0.263087D+01  0.675397D+01 -0.282802D+01  0.249837D+01
      4   0.263260D+01 -0.493162D+01  0.680353D+01 -0.101843D+02 -0.508169D+01
      5  -0.614876D+01 -0.950100D+00  0.177298D+02 -0.535262D+01 -0.674332D+01
      6   0.247734D+01  0.692544D+01 -0.362441D+01  0.485320D+01  0.336861D+01
               181           182           183           184           185 
      1  -0.130985D+01  0.137804D+01  0.752850D+01 -0.177617D+01  0.312732D+00
      2  -0.179949D+01 -0.429511D+00 -0.346157D+01  0.156322D+01 -0.134677D+01
      3   0.310934D+01 -0.948530D+00 -0.406693D+01  0.212942D+00  0.103404D+01
      4   0.119614D+01  0.291490D+01 -0.206515D+00  0.527389D+01  0.250385D+01
      5   0.629841D+01 -0.267381D+00  0.409968D+01 -0.243408D+00  0.498065D+01
      6  -0.239349D-01 -0.604175D+00 -0.263797D+00  0.701775D+00  0.738175D+00
               186           187           188           189           190 
      1  -0.110800D+01  0.108615D+02 -0.386452D+01 -0.122267D+02  0.175822D+02
      2   0.472302D+00 -0.882836D+01  0.154880D+00 -0.169755D+02 -0.607899D+01
      3   0.635696D+00 -0.203319D+01  0.370964D+01  0.292023D+02 -0.115032D+02
      4   0.506991D+01  0.906836D-01  0.791504D+01  0.746629D+01  0.157038D+02
      5  -0.269939D+00  0.123718D+02  0.588148D+01  0.445404D+02 -0.423758D+01
      6   0.536037D+01  0.838314D+00  0.540829D+01  0.407453D+01 -0.962250D+00
               191           192           193           194           195 
      1   0.111742D+02 -0.419651D+01  0.166233D+02  0.774721D+01 -0.447385D+00
      2  -0.326910D+01  0.143001D+01 -0.530793D+01  0.613775D+01 -0.132226D+01
      3  -0.790507D+01  0.276651D+01 -0.113154D+02 -0.138850D+02  0.176965D+01
      4   0.170749D+02 -0.182981D+01  0.212152D+02  0.345173D+02 -0.483443D+01
      5  -0.126824D+01  0.492916D+01 -0.117973D+01 -0.447110D+01  0.631590D+01
      6  -0.348950D+00  0.151377D+01 -0.279989D+00 -0.157947D+01  0.332033D+01
               196           197           198           199           200 
      1  -0.848319D+01 -0.117724D+01  0.188107D+01 -0.138167D+01  0.240990D+01
      2   0.389527D+01 -0.717171D+00 -0.218596D+01  0.873785D+00 -0.219683D+01
      3   0.458792D+01  0.189442D+01  0.304894D+00  0.507886D+00 -0.213070D+00
      4  -0.346942D+01 -0.867981D+01  0.653636D+01  0.617095D+00  0.305455D+01
      5   0.657284D+01  0.666320D+01 -0.178509D+01 -0.463745D+00 -0.946629D+00
      6   0.198931D+01  0.372690D+01 -0.200315D+01 -0.284236D+01  0.145833D+01
               201           202           203           204           205 
      1  -0.225750D+01  0.780302D+00 -0.501198D+01  0.270247D+01 -0.179261D+01
      2   0.113546D+01 -0.484754D+00  0.712069D+01 -0.490150D+01  0.753371D-01
      3   0.112204D+01 -0.295547D+00 -0.210871D+01  0.219903D+01  0.171728D+01
      4  -0.300743D+01  0.216599D+01  0.108149D+01 -0.997326D+00 -0.591478D+01
      5   0.115362D+01 -0.202312D+00 -0.101903D+01  0.115910D+01  0.216225D+01
      6  -0.364425D+01 -0.129051D+00 -0.526555D+01  0.591641D+01  0.147809D+00
               206           207           208           209           210 
      1   0.118293D+02 -0.149954D+02 -0.923836D+01 -0.788911D+01  0.149499D+01
      2  -0.128585D+02  0.459082D+01  0.650367D+01  0.756575D+01 -0.814932D+00
      3   0.102920D+01  0.104046D+02  0.273469D+01  0.323369D+00 -0.680059D+00
      4  -0.470190D+01  0.231379D+01 -0.241076D+00 -0.805366D+01 -0.105419D+00
      5   0.388288D+01 -0.961832D+01  0.146682D+01  0.611074D+00 -0.168034D+01
      6   0.165723D+02 -0.340701D+02 -0.532689D+00 -0.349746D+00  0.310332D+00
               211           212           213           214           215 
      1  -0.148881D+02 -0.142843D+02  0.168545D+01  0.299679D+01  0.183578D+01
      2   0.850170D+01  0.215898D+02 -0.202568D+01 -0.173396D+01 -0.229891D+01
      3   0.638643D+01 -0.730549D+01  0.340236D+00 -0.126283D+01  0.463133D+00
      4   0.373848D+01 -0.323963D+02  0.124373D+01 -0.520771D+00  0.433964D+01
      5   0.156780D+01  0.224130D+01 -0.671878D+01  0.185250D+01 -0.393089D+01
      6  -0.247171D-01 -0.109741D+01  0.310613D+01 -0.607218D-02  0.390299D+01
               216 
      1  -0.188055D+01
      2   0.940886D+00
      3   0.939664D+00
      4  -0.332366D+01
      5  -0.206692D+00
      6  -0.554913D+00
 Leave Link  716 at Fri Aug 13 11:44:39 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107976D+03  0.136796D+01  0.322495D+00
      2   0.136796D+01  0.102878D+03 -0.409904D+00
      3   0.322495D+00 -0.409904D+00  0.836158D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466578D+00 -0.366838D+01 -0.213119D+01
      2  -0.253835D+01  0.147984D+01  0.624132D+01
      3   0.116265D+02 -0.119272D+02 -0.288053D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.282241D+02 -0.163463D+02 -0.912544D+01
      2  -0.245724D+02  0.182346D+02  0.415236D+01
      3  -0.365171D+01 -0.188830D+01  0.497309D+01
      4  -0.506106D+00 -0.854700D+01  0.782347D+00
      5  -0.263552D+01  0.153626D+01  0.106648D+02
      6  -0.362745D+01  0.692653D+01  0.241683D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.242821D+01 -0.202720D+01 -0.957419D+00 -0.259699D+01  0.245834D+01
      2  -0.202720D+01  0.300945D+01  0.205425D+00  0.245834D+01  0.292294D+00
      3  -0.957419D+00  0.205425D+00 -0.539292D+00  0.328412D+00 -0.974192D+00
                 6             7             8             9            10 
      1   0.328412D+00 -0.132497D+01  0.667195D+00 -0.817051D-01  0.321629D+01
      2  -0.974192D+00  0.667195D+00 -0.144941D+01 -0.507616D+00  0.176142D+01
      3   0.342999D+00 -0.817051D-01 -0.507616D+00  0.784674D+01  0.122889D+01
                11            12            13            14            15 
      1   0.176142D+01  0.122889D+01  0.167861D+01 -0.232588D+01 -0.227793D+00
      2  -0.135160D+01  0.436383D-01 -0.232588D+01 -0.131854D+01  0.569129D+00
      3   0.436383D-01 -0.117161D+01 -0.227793D+00  0.569129D+00  0.466557D+00
                16            17            18            19            20 
      1   0.217935D+01 -0.802953D-01 -0.153591D-01  0.213349D+01  0.195605D+01
      2  -0.802953D-01  0.575120D+00  0.450499D+00  0.195605D+01 -0.267108D+01
      3  -0.153591D-01  0.450499D+00 -0.806051D+01  0.836843D+00  0.166853D+00
                21            22            23            24            25 
      1   0.836843D+00  0.137710D+01 -0.314407D+01 -0.209532D-01  0.107887D+01
      2   0.166853D+00 -0.314407D+01 -0.156454D+01  0.103175D+01  0.378330D+00
      3   0.284445D+00 -0.209532D-01  0.103175D+01  0.855096D+00 -0.216593D+00
                26            27            28            29            30 
      1   0.378330D+00 -0.216593D+00 -0.231606D+01 -0.963969D-01 -0.982723D+00
      2   0.186896D+01  0.401800D+00 -0.963969D-01  0.275661D+01 -0.213282D+00
      3   0.401800D+00 -0.774776D+01 -0.982723D+00 -0.213282D+00 -0.353444D+00
                31            32            33            34            35 
      1   0.637667D+00  0.385442D+01  0.451015D+00 -0.140183D+01  0.104092D+00
      2   0.385442D+01  0.190671D+01 -0.958890D+00  0.104092D+00 -0.126090D+01
      3   0.451015D+00 -0.958890D+00 -0.637186D+00 -0.257449D+00  0.949562D-01
                36            37            38            39            40 
      1  -0.257449D+00  0.596540D+01 -0.925955D-01  0.743865D+00 -0.151973D+01
      2   0.949562D-01 -0.925955D-01  0.128076D+00 -0.518533D+00 -0.637688D+00
      3   0.798321D+01  0.743865D+00 -0.518533D+00 -0.238989D+00 -0.262173D+00
                41            42            43            44            45 
      1  -0.637688D+00 -0.262173D+00  0.275544D+01  0.640598D+00  0.434341D+00
      2  -0.400878D+01  0.747208D+00  0.640598D+00  0.177911D+01 -0.535009D+00
      3   0.747208D+00  0.394273D+00  0.434341D+00 -0.535009D+00 -0.107144D+01
                46            47            48            49            50 
      1  -0.336320D+01 -0.288170D+01 -0.595554D+00 -0.108705D+01  0.192802D+01
      2  -0.288170D+01  0.776331D+00  0.693162D+00  0.192802D+01  0.120471D+01
      3  -0.595554D+00  0.693162D+00  0.368807D+00  0.121768D-01 -0.280763D+00
                51            52            53            54            55 
      1   0.121768D-01 -0.185717D+01  0.250930D-01  0.117477D+00  0.318285D+01
      2  -0.280763D+00  0.250930D-01 -0.105736D+01  0.134783D-01  0.195138D+01
      3  -0.158785D+01  0.117477D+00  0.134783D-01  0.778966D+01  0.140190D+01
                56            57            58            59            60 
      1   0.195138D+01  0.140190D+01  0.319340D+01 -0.273401D+01 -0.183727D+00
      2  -0.133620D+01 -0.634199D-01 -0.273401D+01  0.631778D+01  0.111291D+01
      3  -0.634199D-01  0.701059D+00 -0.183727D+00  0.111291D+01  0.189166D+00
                61            62            63            64            65 
      1   0.286895D+01 -0.109467D+01 -0.571352D+00  0.415693D+00  0.331632D+00
      2  -0.109467D+01  0.222931D+01  0.138803D+01  0.331632D+00 -0.552449D+00
      3  -0.571352D+00  0.138803D+01  0.372314D+00 -0.919856D+00  0.621372D-01
                66            67            68            69            70 
      1  -0.919856D+00  0.464774D+00 -0.479738D+00  0.829138D-01 -0.183232D+01
      2   0.621372D-01 -0.479738D+00  0.687036D-01 -0.100608D+01  0.177999D+00
      3  -0.143601D-01  0.829138D-01 -0.100608D+01  0.263255D+00 -0.391970D+00
                71            72            73            74            75 
      1   0.177999D+00 -0.391970D+00 -0.762003D+01 -0.134835D+00 -0.107926D+01
      2  -0.176576D+01  0.677941D+00 -0.134835D+00  0.546832D+00 -0.194243D+00
      3   0.677941D+00 -0.738256D+01 -0.107926D+01 -0.194243D+00  0.401026D+00
                76            77            78            79            80 
      1   0.283154D+01  0.894360D+00  0.167482D+00 -0.285289D+01 -0.635341D+00
      2   0.894360D+00  0.422803D+01 -0.927251D+00 -0.635341D+00 -0.138471D+01
      3   0.167482D+00 -0.927251D+00  0.823703D+00 -0.136175D+01 -0.333507D-01
                81            82            83            84            85 
      1  -0.136175D+01 -0.631443D+00 -0.311156D+00  0.998229D+00 -0.377519D+00
      2  -0.333507D-01 -0.311156D+00  0.369690D+00  0.139656D-01  0.356459D+00
      3  -0.358003D+00  0.998229D+00  0.139656D-01  0.391603D-01  0.339196D-01
                86            87            88            89            90 
      1   0.356459D+00  0.339196D-01  0.186577D+01  0.197569D+00 -0.546914D+00
      2   0.903244D-01  0.104271D+01  0.197569D+00  0.172821D+01 -0.495698D+00
      3   0.104271D+01 -0.472779D+00 -0.546914D+00 -0.495698D+00  0.758496D+01
                91            92            93            94            95 
      1  -0.164554D+00 -0.388200D+00  0.939927D+00 -0.287058D+00  0.532699D+00
      2  -0.388200D+00  0.491394D+00  0.569965D-01  0.532699D+00  0.415495D+00
      3   0.939927D+00  0.569965D-01  0.324369D-01  0.818310D-01  0.101862D+01
                96            97            98            99           100 
      1   0.818310D-01  0.181315D+01 -0.246389D-01  0.323680D+00  0.399100D+01
      2   0.101862D+01 -0.246389D-01  0.182962D+01  0.425385D+00  0.597285D+00
      3   0.241773D-02  0.323680D+00  0.425385D+00  0.750262D+01 -0.917116D+00
               101           102           103           104           105 
      1   0.597285D+00 -0.917116D+00 -0.188349D+00  0.391164D+01  0.805447D-01
      2   0.547207D+01 -0.758632D-01  0.391164D+01  0.255702D+01 -0.878474D+00
      3  -0.758632D-01  0.479782D+00  0.805447D-01 -0.878474D+00 -0.605263D+00
               106           107           108           109           110 
      1  -0.118539D+01 -0.283821D+00  0.850957D+00  0.257652D+01  0.309518D+00
      2  -0.283821D+00 -0.252681D+01  0.106516D+01  0.309518D+00 -0.246710D+01
      3   0.850957D+00  0.106516D+01 -0.231192D+00  0.167785D+01  0.256813D+00
               111           112           113           114           115 
      1   0.167785D+01  0.521494D+00 -0.394320D+01  0.270530D-01  0.213477D+01
      2   0.256813D+00 -0.394320D+01 -0.254169D+01  0.125954D+01 -0.231361D+00
      3   0.929389D+00  0.270530D-01  0.125954D+01 -0.598081D+00 -0.616702D+00
               116           117           118           119           120 
      1  -0.231361D+00 -0.616702D+00  0.104795D+01  0.205270D+00 -0.100352D+01
      2   0.143630D+01 -0.119342D+01  0.205270D+00 -0.322200D+00  0.518955D-01
      3  -0.119342D+01 -0.718481D+01 -0.100352D+01  0.518955D-01  0.573380D+00
               121           122           123           124           125 
      1   0.160952D+00 -0.389267D+00 -0.241523D+00 -0.211217D+01 -0.178337D+00
      2  -0.389267D+00  0.155008D-01 -0.987521D+00 -0.178337D+00 -0.161594D+01
      3  -0.241523D+00 -0.987521D+00  0.148472D+00  0.924578D+00  0.137900D+00
               126           127           128           129           130 
      1   0.924578D+00 -0.111361D+01 -0.147092D+01  0.182109D+00 -0.175342D+01
      2   0.137900D+00 -0.147092D+01 -0.131916D+01  0.202104D+00 -0.149835D+01
      3  -0.741266D+01  0.182109D+00  0.202104D+00 -0.401681D+00 -0.699798D-01
               131           132           133           134           135 
      1  -0.149835D+01 -0.699798D-01 -0.143546D+00 -0.124776D+00 -0.277779D+00
      2  -0.828061D+01 -0.337400D+00 -0.124776D+00 -0.196070D+01  0.802231D+00
      3  -0.337400D+00  0.807643D+00 -0.277779D+00  0.802231D+00 -0.536294D+01
               136           137           138           139           140 
      1   0.148130D+00  0.852749D-01 -0.110700D+01  0.103086D+00 -0.408254D+00
      2   0.852749D-01 -0.274741D+00 -0.162031D+00 -0.408254D+00 -0.971411D+00
      3  -0.110700D+01 -0.162031D+00 -0.184838D+00  0.109739D-01 -0.975563D+00
               141           142           143           144           145 
      1   0.109739D-01 -0.182349D+01 -0.431538D+00 -0.393653D+00 -0.838174D+01
      2  -0.975563D+00 -0.431538D+00 -0.188356D+01 -0.141597D+01  0.157747D+01
      3  -0.304931D+00 -0.393653D+00 -0.141597D+01 -0.756437D+01 -0.527902D+00
               146           147           148           149           150 
      1   0.157747D+01 -0.527902D+00 -0.120232D+00 -0.659757D+00 -0.894774D-02
      2  -0.186751D+01 -0.842935D-01 -0.659757D+00  0.273349D+00 -0.226828D+00
      3  -0.842935D-01 -0.122898D+01 -0.894774D-02 -0.226828D+00  0.167771D+00
               151           152           153           154           155 
      1  -0.154305D+01  0.262005D+00 -0.978413D+00 -0.256425D+01 -0.183611D+01
      2   0.262005D+00 -0.523808D+00  0.318285D+00 -0.183611D+01 -0.208586D+01
      3  -0.978413D+00  0.318285D+00 -0.125266D+00  0.131593D+00  0.234373D-01
               156           157           158           159           160 
      1   0.131593D+00 -0.397878D+01 -0.299608D+01 -0.143487D+00  0.655056D+00
      2   0.234373D-01 -0.299608D+01 -0.556101D+01  0.234960D+00  0.320162D+00
      3  -0.646889D+00 -0.143487D+00  0.234960D+00 -0.977244D+00 -0.718678D+00
               161           162           163           164           165 
      1   0.320162D+00 -0.718678D+00 -0.194623D+01  0.141147D+01  0.227910D+00
      2   0.679196D+00 -0.624230D+00  0.141147D+01 -0.364568D+01  0.385956D-01
      3  -0.624230D+00 -0.218993D-01  0.227910D+00  0.385956D-01 -0.437767D+00
               166           167           168           169           170 
      1   0.172920D+01 -0.146416D+01 -0.112189D+00  0.372185D+00 -0.169722D+00
      2  -0.146416D+01  0.652182D+01  0.144966D+00 -0.169722D+00  0.788895D+00
      3  -0.112189D+00  0.144966D+00  0.105659D+01 -0.170260D+00  0.860671D+00
               171           172           173           174           175 
      1  -0.170260D+00  0.748257D+01 -0.227647D+01 -0.133476D+01 -0.117821D+01
      2   0.860671D+00 -0.227647D+01  0.340682D+01  0.577585D-02  0.343266D+01
      3  -0.649444D-01 -0.133476D+01  0.577585D-02  0.507249D+00  0.287008D-01
               176           177           178           179           180 
      1   0.343266D+01  0.287008D-01 -0.229886D+01  0.691725D+00  0.167608D+01
      2   0.157178D+01 -0.739794D+00  0.691725D+00 -0.151530D+01 -0.607625D+00
      3  -0.739794D+00  0.653764D+00  0.167608D+01 -0.607625D+00 -0.699655D+00
               181           182           183           184           185 
      1  -0.366123D+00  0.282629D+00  0.103110D+01 -0.254319D+00  0.690136D+00
      2   0.282629D+00  0.231503D+00 -0.118885D+00  0.690136D+00  0.418707D+00
      3   0.103110D+01 -0.118885D+00 -0.282515D+00 -0.451468D-01  0.968128D+00
               186           187           188           189           190 
      1  -0.451468D-01  0.237534D+01 -0.192929D+00  0.130097D+01  0.258265D+01
      2   0.968128D+00 -0.192929D+00  0.153336D+01  0.105142D+01  0.202945D+01
      3  -0.175063D-01  0.130097D+01  0.105142D+01  0.820035D+01 -0.699356D+00
               191           192           193           194           195 
      1   0.202945D+01 -0.699356D+00  0.324531D+01  0.257397D+01 -0.185160D+00
      2   0.205617D+01 -0.184233D+00  0.257397D+01  0.542458D+01 -0.780610D+00
      3  -0.184233D+00  0.618560D+00 -0.185160D+00 -0.780610D+00  0.964535D+00
               196           197           198           199           200 
      1  -0.155557D+01 -0.352172D+00  0.854684D+00 -0.126813D+00 -0.431581D+00
      2  -0.352172D+00 -0.142102D+01  0.101035D+01 -0.431581D+00  0.246251D+00
      3   0.854684D+00  0.101035D+01 -0.188014D+00  0.505097D+00 -0.227130D+00
               201           202           203           204           205 
      1   0.505097D+00 -0.349230D+00  0.212789D-02  0.175615D-01  0.131205D+01
      2  -0.227130D+00  0.212789D-02 -0.124458D+01  0.753147D+00  0.301627D+00
      3   0.603082D+00  0.175615D-01  0.753147D+00 -0.757191D+00 -0.745497D-01
               206           207           208           209           210 
      1   0.301627D+00 -0.745497D-01 -0.172030D+01 -0.551690D+00  0.219158D+00
      2   0.312925D+01 -0.261006D+01 -0.551690D+00 -0.159760D+01  0.211127D-01
      3  -0.261006D+01  0.613239D+01  0.219158D+00  0.211127D-01 -0.380178D-01
               211           212           213           214           215 
      1  -0.225223D+01  0.456254D-01  0.178496D+00  0.520347D+00  0.332024D-01
      2   0.456254D-01 -0.581563D+01  0.190294D+00  0.332024D-01  0.787940D+00
      3   0.178496D+00  0.190294D+00 -0.117821D+01  0.190360D+00 -0.675126D+00
               216 
      1   0.190360D+00
      2  -0.675126D+00
      3   0.637898D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.122251D+01 -0.349936D-01 -0.102823D+01 -0.134559D+01  0.780890D+00
      2   0.137606D+01 -0.334970D+00  0.502253D+00 -0.446747D+00  0.200166D+01
      3  -0.324433D+01 -0.198742D+01 -0.944207D+00  0.337787D+01  0.176390D+01
                 6             7             8             9            10 
      1  -0.335805D+00 -0.167625D+00  0.395769D+01 -0.644354D+01  0.530926D+00
      2   0.761450D+00 -0.287110D+01  0.420181D+00 -0.752723D+01 -0.198451D+01
      3  -0.351071D+00  0.870485D-01 -0.106269D+01 -0.647928D+00  0.866133D+00
                11            12            13            14            15 
      1  -0.564072D+00 -0.557363D-01  0.355904D+00 -0.131384D+01 -0.133564D+01
      2  -0.103494D+01  0.937224D+00  0.125627D+00 -0.213279D+01 -0.168161D+01
      3  -0.545115D+01 -0.655573D+00  0.206059D+00 -0.332768D+00  0.181453D+01
                16            17            18            19            20 
      1  -0.511274D+00  0.220712D+01 -0.376536D+01 -0.973384D+00 -0.377063D+00
      2  -0.331497D+01 -0.124981D+01  0.985407D+01 -0.104691D+01  0.280726D+00
      3  -0.973261D+00  0.102544D+01  0.713554D+00  0.161606D+01  0.682414D-01
                21            22            23            24            25 
      1   0.836013D+00 -0.461539D+00 -0.163299D+01 -0.178130D+00  0.121263D+01
      2   0.145693D+01 -0.766867D+00  0.421715D+00 -0.371157D+00 -0.344769D+01
      3   0.123000D+01  0.576245D+01 -0.403201D+01 -0.103961D+01  0.123857D+01
                26            27            28            29            30 
      1   0.274146D+01  0.792883D+01  0.819120D+00 -0.279747D+00  0.147695D+01
      2  -0.219886D+00 -0.156452D+01 -0.223107D+01 -0.261471D+00  0.513243D-01
      3   0.180009D+00 -0.790523D+00 -0.514508D+01 -0.833992D+01 -0.730872D+00
                31            32            33            34            35 
      1  -0.102790D+01  0.985608D+00  0.140100D+01  0.154535D+01  0.303142D+01
      2  -0.463972D+00 -0.141661D+01 -0.177233D+01 -0.486826D+01  0.172016D+01
      3  -0.517704D+01 -0.219442D+01  0.206306D+01 -0.545272D+00  0.116181D+01
                36            37            38            39            40 
      1  -0.358261D+01  0.873766D+00  0.432478D+00 -0.260846D+01  0.875731D+00
      2   0.133472D+02  0.791697D+00  0.318894D+00  0.773471D+01  0.122244D+00
      3  -0.301809D+00 -0.921679D+01 -0.712353D+01 -0.835029D+00  0.106793D+02
                41            42            43            44            45 
      1   0.728447D+00 -0.571388D+01  0.236629D+01  0.407614D+01  0.199211D+00
      2   0.959630D+00  0.192535D+01 -0.491862D+01 -0.248456D+01  0.876765D+00
      3   0.496536D+01 -0.817729D+00 -0.337542D+01 -0.230194D+01 -0.209371D+00
                46            47            48            49            50 
      1  -0.342678D+00 -0.183124D+00  0.172967D+01 -0.736268D+00 -0.117754D+01
      2   0.130851D+01  0.105758D+00 -0.408304D+01 -0.641880D+00  0.150768D+01
      3   0.314023D+01  0.466464D+01  0.101135D+01  0.349298D+01  0.986761D+00
                51            52            53            54            55 
      1  -0.692790D+00 -0.114526D+01  0.310147D+01  0.112405D+02 -0.297332D+01
      2  -0.151537D+00 -0.407083D+01 -0.134511D+01 -0.816370D+01 -0.584842D+01
      3  -0.123653D+01  0.255564D+01 -0.104137D+01 -0.215858D+00  0.138522D+02
                56            57            58            59            60 
      1   0.558264D-01  0.575826D+00  0.132082D+01 -0.182538D+01 -0.531963D+01
      2   0.153893D+01  0.169557D+01  0.165897D+00 -0.191870D+01 -0.256171D+01
      3  -0.169006D+01  0.247901D+01  0.778007D+01  0.857378D+01  0.112529D+01
                61            62            63            64            65 
      1   0.441108D+00  0.970484D+00 -0.229496D+01  0.733525D+00 -0.947501D-01
      2  -0.393078D+01 -0.159537D+01 -0.231318D+01  0.153112D+01 -0.232636D+00
      3   0.508629D+01  0.332692D+01  0.148368D+01  0.808069D+00 -0.118408D+01
                66            67            68            69            70 
      1  -0.489773D+00 -0.156751D+00  0.130745D+01 -0.672971D+00 -0.476732D-01
      2   0.715023D+00 -0.591608D-01  0.860731D+00  0.239028D+00 -0.371463D+01
      3  -0.733928D+00  0.962258D+00 -0.367781D+00 -0.970503D+00 -0.195511D+01
                71            72            73            74            75 
      1   0.354315D+01  0.711723D+01 -0.144162D+01 -0.422593D+00 -0.363221D+00
      2  -0.379495D+00  0.820322D+01  0.336404D+01  0.164640D+01  0.591927D+01
      3  -0.195093D+01  0.550858D+00  0.680404D+01 -0.373012D+01  0.270998D+00
                76            77            78            79            80 
      1  -0.210268D+01 -0.255650D+01 -0.101934D+01  0.432540D+00  0.397957D+01
      2   0.772747D+00  0.321986D+01 -0.187243D+01 -0.171261D+00 -0.552377D+00
      3   0.444556D+01  0.175345D+02 -0.215420D+01  0.100263D+01 -0.492481D+01
                81            82            83            84            85 
      1  -0.751771D+00  0.355001D+00  0.346328D+00  0.438455D+00  0.556764D+00
      2   0.272367D+01 -0.192243D+01 -0.167909D-01  0.270525D+00  0.235456D+00
      3   0.823955D+00 -0.116346D+00 -0.226338D+00 -0.297697D+00  0.162811D+01
                86            87            88            89            90 
      1   0.622960D+00 -0.147181D+01  0.790101D-01  0.400567D+01  0.273637D+01
      2  -0.164769D+01  0.298243D+00 -0.335864D+01  0.531038D+00 -0.114902D+02
      3   0.267281D+00  0.124584D+01 -0.658986D+00  0.283309D+01 -0.887764D-01
                91            92            93            94            95 
      1  -0.155186D+01  0.992697D-01  0.239837D+00 -0.151121D+00 -0.141659D+01
      2   0.261450D+00  0.654441D+00  0.642102D+00  0.581295D+00  0.262600D+00
      3   0.259150D-01 -0.153397D+01  0.110929D+01  0.441388D+00  0.396560D+00
                96            97            98            99           100 
      1  -0.334112D+00 -0.407651D+00  0.356842D+01 -0.914951D+01  0.226721D+01
      2  -0.368854D+00 -0.453592D+01  0.110569D+00  0.174162D+01  0.281150D+00
      3  -0.173720D+00  0.248036D+01 -0.796960D+00  0.257438D+00  0.135841D+02
               101           102           103           104           105 
      1  -0.914623D+00 -0.332625D+01 -0.591389D+00  0.417639D+01 -0.408729D+01
      2  -0.134512D+01  0.312789D+01  0.487878D+00  0.340407D+00  0.148588D+01
      3  -0.986854D+01 -0.174540D+01 -0.422181D+00  0.843252D+01  0.112536D+01
               106           107           108           109           110 
      1  -0.239157D+01  0.200781D+01  0.234306D+01 -0.155616D+01 -0.113918D+01
      2  -0.224561D+01  0.114206D+01 -0.611964D+00  0.399476D+01  0.998762D+00
      3  -0.420648D+01  0.145164D+01  0.116022D+01  0.300492D+01  0.609223D+01
               111           112           113           114           115 
      1  -0.211068D+01 -0.238537D+01 -0.313060D+01  0.461602D+00 -0.109259D+00
      2   0.192018D+01  0.141407D+01  0.477834D+01 -0.325722D-01 -0.632521D+01
      3  -0.234877D+00  0.146977D+02  0.420899D+01 -0.354866D+01  0.109371D+01
               116           117           118           119           120 
      1   0.222763D+01  0.485801D+01  0.278470D+00  0.414673D+00  0.300407D+00
      2  -0.298455D+01 -0.187558D+02 -0.110191D+01  0.197747D+00  0.164031D+01
      3  -0.461942D+01  0.321229D+01 -0.957700D-01  0.291418D+00 -0.395329D+00
               121           122           123           124           125 
      1   0.192316D+00  0.526195D-01 -0.551124D+00 -0.263050D-01  0.386482D+01
      2  -0.375932D+00 -0.162954D+01  0.163395D+00 -0.348067D+01 -0.464055D-01
      3   0.242062D+01 -0.697950D+00  0.148083D+01 -0.222128D+00  0.283443D+01
               126           127           128           129           130 
      1   0.232764D+01 -0.267272D-02  0.131904D+00 -0.192700D+01  0.300322D+00
      2  -0.107612D+02  0.108542D+00 -0.156466D+01  0.476352D+01  0.556364D+00
      3  -0.859496D+00  0.262954D+01 -0.169513D+01  0.783946D+00  0.941087D+01
               131           132           133           134           135 
      1  -0.420856D-01 -0.448410D+01 -0.844804D-01  0.557315D+01 -0.165633D+02
      2   0.173697D-01  0.155510D+00 -0.147353D+00 -0.809943D+00  0.479207D+01
      3  -0.423032D+01 -0.787486D-01  0.406624D+00 -0.632209D+00  0.190196D+01
               136           137           138           139           140 
      1  -0.202367D+01 -0.164263D+00 -0.440228D+00  0.266013D+00 -0.114477D+01
      2   0.867508D+00  0.198388D+00  0.732979D+00  0.544542D+00  0.635697D+00
      3  -0.465199D-01 -0.162787D+01  0.193330D+01  0.216654D+00  0.285421D+00
               141           142           143           144           145 
      1  -0.907983D+00 -0.129019D+00  0.246928D+01 -0.111410D+02  0.167933D+01
      2   0.465163D-01 -0.395983D+01  0.760656D+00  0.648821D+01  0.468513D+01
      3  -0.548271D+00  0.335057D+01 -0.560985D+00  0.426594D+00 -0.173156D+02
               146           147           148           149           150 
      1   0.407711D-01  0.240340D+01  0.597062D-01  0.520036D+00 -0.105561D+00
      2  -0.372953D+00  0.420522D+01  0.219158D+00  0.538007D+00 -0.106287D+00
      3  -0.308604D+01 -0.182975D+01 -0.205025D+01 -0.239177D+01 -0.707789D+00
               151           152           153           154           155 
      1   0.182215D+01  0.300283D+00  0.274289D+00  0.863018D+00  0.929442D+00
      2   0.210744D+01 -0.704720D+00  0.741594D+00 -0.858850D+00 -0.710264D+00
      3  -0.376610D+01 -0.116541D+01 -0.131061D+01 -0.428844D+01 -0.528076D+01
               156           157           158           159           160 
      1  -0.991633D+00  0.141624D+01  0.254482D+01 -0.204123D+01 -0.981308D+00
      2   0.190328D+01 -0.867537D+00 -0.212418D+01  0.345046D+01  0.887870D+00
      3  -0.937826D-01 -0.429374D+01 -0.186390D+02  0.117119D+01  0.912365D-01
               161           162           163           164           165 
      1  -0.542226D-01  0.345693D+00 -0.137632D+01  0.118396D+01  0.206942D+01
      2   0.189208D+01  0.283178D-01 -0.301833D+00  0.601484D+00 -0.891776D-01
      3   0.266411D+01 -0.104440D+01 -0.103145D+02  0.726917D+01  0.105240D+01
               166           167           168           169           170 
      1   0.111495D+01 -0.204991D+01 -0.359006D+01  0.718298D+00 -0.155500D+01
      2   0.348872D+00 -0.795257D+00 -0.113101D+00 -0.100432D+01  0.142778D+00
      3   0.824409D+01 -0.104873D+02 -0.592987D+00  0.203602D+01 -0.132609D+01
               171           172           173           174           175 
      1  -0.105506D+00 -0.452871D+00 -0.494214D+00  0.318828D+01  0.366044D+00
      2  -0.211892D+00 -0.429218D+01  0.113963D+01  0.686725D+01 -0.877708D+00
      3  -0.969602D+00  0.169338D+01 -0.185550D+02 -0.207152D+00 -0.102146D+02
               176           177           178           179           180 
      1  -0.227370D+01 -0.328575D+01  0.258868D-01  0.408069D+01 -0.192076D+01
      2  -0.257387D+01 -0.682310D+00  0.236939D+01 -0.196544D+01 -0.326075D+01
      3  -0.838425D+01  0.273497D+01 -0.534448D-01  0.597816D+01  0.160413D+01
               181           182           183           184           185 
      1  -0.254736D+00 -0.984936D-01 -0.570528D-01  0.260684D+00 -0.179086D+00
      2   0.387411D+01 -0.785258D+00 -0.433663D+00 -0.257833D+00  0.257717D+01
      3  -0.122432D+01 -0.113245D+01  0.737312D+00 -0.898943D+00 -0.786132D+00
               186           187           188           189           190 
      1  -0.706395D-01 -0.969348D+00  0.347839D+01 -0.372949D+01  0.134391D+01
      2   0.514109D-01 -0.140018D+01  0.337274D+01  0.223159D+02 -0.249026D+01
      3  -0.243409D+01  0.161050D+01 -0.441161D+01 -0.273411D+01 -0.426186D+01
               191           192           193           194           195 
      1   0.785006D+00 -0.124264D+01  0.103246D+01  0.218623D+01 -0.253512D+01
      2  -0.991573D+00  0.278813D+01 -0.106148D+01 -0.321188D+01  0.358343D+01
      3  -0.572019D+01  0.179299D+00 -0.307152D+01 -0.161223D+02  0.238045D+01
               196           197           198           199           200 
      1  -0.837926D+00 -0.143199D+00  0.473132D+00  0.156152D+01 -0.363878D+00
      2   0.163392D+01  0.302303D+01 -0.836605D+00 -0.108169D+01 -0.194426D+00
      3  -0.378002D+00  0.443986D+01 -0.248552D+01 -0.649807D+00  0.487350D+00
               201           202           203           204           205 
      1   0.200074D+01  0.880311D-01  0.277984D+01 -0.238813D+01 -0.179134D+00
      2  -0.653775D+00 -0.540387D+00 -0.103440D+01  0.853027D+00 -0.234937D+01
      3  -0.147817D+01  0.918246D+00 -0.112324D+01  0.681314D+00 -0.364765D+01
               206           207           208           209           210 
      1  -0.558408D+01  0.191199D+02  0.420989D+00  0.711337D+00 -0.618097D+00
      2   0.251188D+01 -0.574356D+01  0.877603D+00 -0.415080D-01 -0.804293D+00
      3   0.204050D+01 -0.254263D+01  0.721121D+01  0.791434D+01 -0.402016D+00
               211           212           213           214           215 
      1   0.591039D+00  0.226310D+01 -0.255126D+01  0.280915D-01 -0.402961D+00
      2   0.785360D+00  0.364065D+00 -0.329981D+01 -0.878804D+00 -0.197241D+01
      3   0.543948D+01  0.230570D+02 -0.100702D+01 -0.125734D+01 -0.314157D+01
               216 
      1   0.280794D+00
      2  -0.339167D-01
      3   0.206595D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.496936D+01 -0.208967D+01  0.481612D+00  0.578910D+01 -0.166305D+01
      2  -0.546359D+01  0.962255D+01 -0.111807D+01  0.106941D+01 -0.468280D+01
      3   0.494229D+00 -0.753288D+01  0.636460D+00 -0.685851D+01  0.634585D+01
      4   0.530932D+01 -0.121380D+02 -0.139396D+01 -0.153668D+02  0.743999D+01
      5   0.311202D+01 -0.165388D+01 -0.208952D+01 -0.333733D+01  0.155692D+01
      6  -0.115539D+01  0.246689D+01  0.296932D+01  0.279945D+01 -0.330824D+01
                 6             7             8             9            10 
      1   0.575557D+00  0.332180D+01  0.666255D+00  0.676911D+01 -0.183420D+02
      2  -0.188171D+00  0.955119D+00 -0.543987D+01  0.502246D+01  0.893496D+01
      3  -0.387387D+00 -0.427692D+01  0.477362D+01 -0.117916D+02  0.940704D+01
      4   0.231855D+01 -0.436883D+01  0.665455D+01  0.948020D+00 -0.674120D+01
      5   0.257809D+01  0.657329D+00  0.178461D+01 -0.180214D+02 -0.644382D+01
      6  -0.399811D+01  0.851975D+00 -0.635677D+00  0.159375D+02 -0.952719D+00
                11            12            13            14            15 
      1  -0.666902D+01 -0.164355D+01 -0.936026D+01  0.742216D+01  0.111539D+01
      2   0.292604D+01  0.378287D+01  0.611043D+01 -0.381190D+01 -0.774619D+00
      3   0.374298D+01 -0.213931D+01  0.324984D+01 -0.361026D+01 -0.340775D+00
      4  -0.286413D+01 -0.698608D+00  0.629571D+01  0.311346D+01 -0.871658D+00
      5  -0.119642D+01 -0.222755D+01  0.119570D+00 -0.268267D+00 -0.390600D+01
      6  -0.191428D+01 -0.328764D-01 -0.666827D+00 -0.729266D+00  0.153982D+00
                16            17            18            19            20 
      1  -0.112825D+02 -0.190261D+01  0.799896D+01 -0.730328D+01  0.770680D+01
      2   0.549985D+01 -0.583647D+00  0.520342D+01  0.551192D+01 -0.120872D+02
      3   0.578262D+01  0.248626D+01 -0.132024D+02  0.179136D+01  0.438038D+01
      4  -0.121853D+01 -0.155467D+01 -0.135621D+01  0.264499D+01 -0.212688D+01
      5  -0.174996D+00 -0.185922D+01  0.253348D+02  0.180636D+01  0.128057D+01
      6   0.586949D-01 -0.602086D+00  0.992487D+01  0.983594D+00  0.161422D+01
                21            22            23            24            25 
      1  -0.742844D+00  0.447307D+01  0.383278D+01 -0.305117D+01 -0.911920D+00
      2  -0.873225D+00 -0.909361D+01 -0.987675D+01  0.771799D+00  0.312431D+01
      3   0.161607D+01  0.462054D+01  0.604398D+01  0.227937D+01 -0.221239D+01
      4   0.114001D+01 -0.516349D+01 -0.891355D+01 -0.196445D+00  0.301143D+01
      5  -0.784273D+00  0.165777D+01  0.106797D+01 -0.101083D+01  0.204289D+00
      6  -0.174256D+01 -0.935544D-01  0.427528D+01 -0.343899D+01 -0.112905D+01
                26            27            28            29            30 
      1  -0.324731D+01  0.506703D+01 -0.111460D+02 -0.629592D+00 -0.367348D+01
      2   0.756477D+01  0.852438D+01  0.434746D+01 -0.574440D-02  0.202276D+01
      3  -0.431746D+01 -0.135914D+02  0.679851D+01  0.635336D+00  0.165072D+01
      4   0.281925D+01 -0.198466D+00 -0.488910D+01 -0.388606D+00 -0.151439D+01
      5   0.982581D-02 -0.427130D+01 -0.491968D+01 -0.778023D+00 -0.380465D+01
      6   0.144218D+01 -0.198311D+02 -0.229713D+01 -0.380529D-01 -0.237273D+01
                31            32            33            34            35 
      1   0.238362D+00  0.135960D+02 -0.153514D+00 -0.363403D+01  0.102679D-02
      2   0.727315D+00 -0.139470D+02 -0.188541D+01  0.961367D-01 -0.141561D+01
      3  -0.965677D+00  0.351012D+00  0.203892D+01  0.353789D+01  0.141458D+01
      4  -0.356269D+01  0.290962D+00 -0.196154D+01  0.115063D+01 -0.775036D+00
      5   0.169527D+01 -0.160046D+01 -0.487199D+01 -0.201088D+01  0.700117D+00
      6  -0.136762D+00  0.105058D+01 -0.434515D+01 -0.128868D+01  0.171101D+00
                36            37            38            39            40 
      1   0.561404D+01  0.164665D+02 -0.278369D+01 -0.497484D+00 -0.648594D+00
      2   0.622385D+01 -0.112027D+02  0.223261D+01 -0.136956D+01  0.454757D-02
      3  -0.118379D+02 -0.526382D+01  0.551072D+00  0.186705D+01  0.644047D+00
      4   0.110311D+01 -0.877058D+01  0.984859D+01 -0.147266D+01  0.105681D+02
      5   0.245999D+02  0.199220D+01 -0.164403D+00  0.124466D+02 -0.122819D+01
      6   0.386100D+01 -0.749130D+00  0.193526D+01  0.540118D+01  0.333282D-01
                41            42            43            44            45 
      1  -0.106971D+02  0.267533D+01  0.530613D+01  0.348209D+01 -0.343781D+01
      2   0.152354D+02 -0.713304D+00 -0.525273D+01 -0.393487D+01 -0.298228D+01
      3  -0.453832D+01 -0.196203D+01 -0.533981D-01  0.452776D+00  0.642009D+01
      4  -0.186017D+01  0.906283D+00 -0.391593D+01  0.985505D+00 -0.239496D+01
      5   0.447447D+00  0.475528D+01  0.528065D+01 -0.528129D+00  0.896213D+00
      6  -0.302561D+01  0.851332D+01 -0.814522D+00  0.496998D+01  0.416233D+00
                46            47            48            49            50 
      1  -0.156358D+02  0.795748D+01  0.410021D+01 -0.126014D+01  0.593177D+01
      2   0.144478D+02 -0.889622D+01 -0.938433D+00 -0.300494D+01 -0.170240D+02
      3   0.118794D+01  0.938739D+00 -0.316178D+01  0.426508D+01  0.110922D+02
      4   0.507390D+01 -0.440852D+01  0.671462D+00 -0.100081D+02 -0.948128D+01
      5   0.140685D+00  0.933710D-01 -0.832449D+01  0.125040D+01  0.718034D+00
      6   0.122080D-01 -0.243286D+01 -0.478989D+01  0.804872D+00  0.160896D+01
                51            52            53            54            55 
      1  -0.420282D+00  0.136416D+01 -0.498408D+00  0.628721D+01 -0.206536D+02
      2   0.663438D+00  0.787493D+00  0.708264D+01  0.772319D+01  0.158015D+02
      3  -0.243156D+00 -0.215165D+01 -0.658423D+01 -0.140104D+02  0.485203D+01
      4   0.148197D+01  0.319129D+01  0.413240D+00  0.564749D+00  0.453366D+01
      5  -0.337998D+00 -0.199440D+01 -0.102829D+01 -0.132394D+02 -0.682219D+01
      6  -0.311132D+01 -0.728586D+00 -0.909425D+00 -0.261582D+02  0.675315D+01
                56            57            58            59            60 
      1  -0.817330D+00 -0.500426D+01 -0.688866D+01 -0.881030D+01 -0.344791D+01
      2  -0.443100D+01  0.377548D+01 -0.300713D+01  0.249700D+02  0.246688D+01
      3   0.524833D+01  0.122877D+01  0.989579D+01 -0.161597D+02  0.981030D+00
      4   0.159485D+02  0.490510D+01  0.247762D+02 -0.301783D+02 -0.474230D+01
      5   0.175341D+01  0.491194D+01  0.223074D+01 -0.484794D+01 -0.452085D+01
      6  -0.187938D+01 -0.117861D+01 -0.240052D+01  0.673312D+01  0.985839D+01
                61            62            63            64            65 
      1  -0.976612D+01 -0.222577D+01 -0.492956D+01 -0.433047D+00 -0.330476D+00
      2   0.348716D+01  0.665177D+01  0.113783D+01 -0.210899D+01 -0.555688D+00
      3   0.627896D+01 -0.442600D+01  0.379173D+01  0.254203D+01  0.886164D+00
      4   0.128865D+02 -0.112742D+02 -0.598501D+01 -0.460333D+00  0.327718D+01
      5   0.643365D+01 -0.671135D+01 -0.490002D+01  0.276955D+01 -0.650115D+00
      6  -0.352059D+01  0.107119D+02  0.481369D+01 -0.214016D+01 -0.326406D+00
                66            67            68            69            70 
      1   0.263651D+01 -0.305277D+00 -0.249112D+01  0.182665D+01  0.334315D+01
      2  -0.137015D+01 -0.595289D+00  0.617097D+00 -0.256868D+01 -0.229411D+01
      3  -0.126637D+01  0.900566D+00  0.187403D+01  0.742032D+00 -0.104904D+01
      4  -0.227237D+01  0.323910D+01 -0.104423D+01  0.261275D+01 -0.383844D+01
      5   0.581420D+01 -0.656405D-03  0.236318D+01 -0.105282D+00  0.480106D+01
      6   0.613786D+00  0.414717D+00 -0.316282D+01  0.627139D+01 -0.116605D+01
                71            72            73            74            75 
      1   0.283738D+01 -0.140076D+02  0.520059D+02  0.404926D+00  0.441927D+01
      2  -0.275051D+01 -0.127861D+02 -0.324374D+02 -0.166602D+01 -0.526911D+01
      3  -0.868694D-01  0.267937D+02 -0.195685D+02  0.126110D+01  0.849843D+00
      4   0.432502D+01 -0.133948D+01  0.409430D+01  0.299503D+01  0.193790D+01
      5  -0.171209D+01  0.183377D+02  0.926256D+01  0.163210D+01  0.105637D+02
      6   0.522692D+01 -0.172297D+02  0.135545D+01  0.110523D+01  0.377986D+00
                76            77            78            79            80 
      1  -0.125509D+02 -0.451156D+01 -0.143941D+01  0.155019D+02  0.214823D+01
      2   0.426387D+01 -0.145964D+01  0.170468D+01 -0.969814D+01  0.635000D+00
      3   0.828700D+01  0.597120D+01 -0.265268D+00 -0.580380D+01 -0.278323D+01
      4  -0.777828D+01 -0.255041D+02  0.420547D+01  0.562272D+01  0.801028D+01
      5  -0.348046D-02  0.515975D+01 -0.280068D+01  0.140875D+02  0.377664D+00
      6  -0.132606D+00  0.731602D+00  0.284611D+01  0.192968D+01  0.329636D+01
                81            82            83            84            85 
      1   0.494813D+01  0.218656D+01  0.130421D+01 -0.455990D+01  0.128870D+01
      2  -0.820028D+01 -0.371803D+01 -0.934654D+00  0.238414D+01 -0.803019D+00
      3   0.325214D+01  0.153147D+01 -0.369551D+00  0.217576D+01 -0.485676D+00
      4   0.589751D+00  0.105208D+01  0.839928D+00 -0.764587D+00  0.103356D+01
      5   0.580932D+01 -0.390558D+01 -0.219288D+00  0.516860D+01  0.182119D-01
      6   0.141595D+01 -0.773065D+00  0.248311D+00 -0.570746D+00 -0.767716D+00
                86            87            88            89            90 
      1  -0.414938D+01  0.147233D+01 -0.601082D+01  0.117225D+01 -0.140414D+02
      2   0.846492D+00 -0.101013D+01  0.463062D+01 -0.774354D+00 -0.137688D+02
      3   0.330289D+01 -0.462194D+00  0.138020D+01 -0.397901D+00  0.278102D+02
      4  -0.499432D-01 -0.350062D+01 -0.219832D+01 -0.492879D+01  0.111950D+01
      5  -0.375166D+01  0.935944D+00  0.588806D+01  0.187153D+01 -0.261584D+02
      6  -0.172618D+01  0.726802D+01  0.444491D+00  0.496843D+01 -0.794614D+01
                91            92            93            94            95 
      1   0.131682D+01 -0.115314D+01  0.840612D+00 -0.161860D+01 -0.329548D+01
      2  -0.401056D+01  0.153338D+01 -0.195741D+00  0.181184D+01  0.113760D+01
      3   0.269374D+01 -0.380243D+00 -0.644871D+00 -0.193238D+00  0.215788D+01
      4  -0.473100D+00  0.154554D+01  0.224449D+01  0.177757D+01  0.104894D+01
      5   0.841604D+00  0.460407D+00  0.578696D+01 -0.358701D-01  0.681851D+00
      6   0.280727D+01  0.119601D-01 -0.262626D+00  0.275503D+00  0.300171D+01
                96            97            98            99           100 
      1  -0.191865D+01  0.764825D+00 -0.432667D+01 -0.149508D+02  0.988847D+01
      2   0.365381D+01 -0.113156D+01  0.540800D+01 -0.140190D+02 -0.500104D+01
      3  -0.173516D+01  0.366734D+00 -0.108133D+01  0.289699D+02 -0.488743D+01
      4   0.917979D+00  0.337524D+01  0.138715D+01  0.363436D+00  0.174303D+02
      5  -0.315769D+00  0.442566D+01  0.228174D+00  0.494991D+01 -0.187061D+01
      6   0.559368D+01  0.973771D+00  0.519906D+01  0.207447D+02 -0.430273D+01
               101           102           103           104           105 
      1  -0.188156D+02  0.236839D+00 -0.110010D+02 -0.553993D+01  0.473753D+01
      2   0.325382D+02  0.110338D+01  0.205644D+02  0.129890D+02 -0.367860D+01
      3  -0.137226D+02 -0.134022D+01 -0.956347D+01 -0.744911D+01 -0.105893D+01
      4   0.110581D+02 -0.354632D+01  0.113509D+02  0.232393D+02 -0.839767D+00
      5  -0.614525D+00  0.596251D+01 -0.743289D+00 -0.256016D+01  0.203293D+01
      6  -0.105630D+01  0.519340D+01  0.153993D+00 -0.670872D+01  0.813629D+01
               106           107           108           109           110 
      1  -0.619825D+00  0.888476D+01 -0.485537D+01  0.501985D+01  0.282626D+01
      2  -0.269310D+00 -0.133813D+02  0.150384D+01 -0.526909D+01 -0.195059D+01
      3   0.889135D+00  0.449656D+01  0.335152D+01  0.249241D+00 -0.875673D+00
      4  -0.569521D+01 -0.392634D+01  0.465665D+01  0.635700D+01 -0.165075D+02
      5   0.503962D+01  0.267344D+01 -0.108956D+01  0.122057D+02  0.143028D+01
      6   0.546791D+01  0.105811D+02 -0.482868D+01  0.283682D+01  0.216311D+01
               111           112           113           114           115 
      1   0.558119D+01  0.112824D+02 -0.193491D+02  0.181965D+01  0.136806D+02
      2  -0.545688D+01 -0.881172D+01  0.448687D+01  0.331952D+01 -0.425343D+01
      3  -0.124306D+00 -0.247073D+01  0.148623D+02 -0.513918D+01 -0.942720D+01
      4   0.255472D+01 -0.271071D+02 -0.144097D+02  0.657168D+01 -0.248672D+01
      5   0.238602D+00 -0.103021D+01  0.733685D+01  0.109973D+01 -0.389109D+01
      6   0.402411D+01  0.745477D+00  0.123827D+01 -0.325533D+01 -0.346142D+00
               116           117           118           119           120 
      1   0.310956D+00  0.784209D+01  0.348039D+01  0.854481D+00 -0.261727D+01
      2   0.178454D+01  0.962092D+01 -0.457307D+01 -0.670278D+00  0.172978D+01
      3  -0.209549D+01 -0.174630D+02  0.109269D+01 -0.184203D+00  0.887487D+00
      4   0.923626D+01 -0.806311D+01  0.581753D+00  0.119842D+01  0.309490D+00
      5  -0.642597D+01 -0.359682D+02 -0.321303D+01  0.230129D+00  0.701823D+01
      6  -0.825794D+00 -0.301786D+01 -0.277376D+00 -0.893432D-01 -0.332277D+00
               121           122           123           124           125 
      1   0.100586D+01 -0.432236D+01 -0.553166D+00 -0.497673D+01  0.942843D+00
      2  -0.884688D+00  0.139599D+01  0.204106D+00  0.583478D+01 -0.161587D+00
      3  -0.121177D+00  0.292636D+01  0.349060D+00 -0.858050D+00 -0.781257D+00
      4   0.160981D+01  0.332499D+00 -0.213802D+01 -0.309976D+00 -0.296216D+01
      5  -0.689032D+00 -0.307030D+01  0.864344D+00  0.681363D+01  0.537014D+00
      6  -0.650260D+00 -0.400625D+00  0.645788D+01  0.707068D+00  0.419179D+01
               126           127           128           129           130 
      1  -0.139763D+02  0.559659D+01 -0.361360D+01  0.113059D+01 -0.943813D+00
      2  -0.138366D+02  0.263010D+01  0.859888D+01 -0.532042D+00  0.676530D+01
      3   0.278129D+02 -0.822669D+01 -0.498528D+01 -0.598545D+00 -0.582149D+01
      4   0.113266D+00  0.680090D+01  0.144018D+02 -0.272635D+00  0.171531D+02
      5  -0.214784D+02 -0.116801D+01 -0.965305D+00  0.557396D+01 -0.116631D+01
      6  -0.252607D+01 -0.615041D+00 -0.182466D+01  0.399084D+01 -0.324497D+00
               131           132           133           134           135 
      1  -0.293162D+02 -0.688611D+00 -0.206002D+00 -0.671387D+01  0.571657D+01
      2   0.554186D+02  0.141253D+01  0.681980D+00  0.570282D+01 -0.918056D+00
      3  -0.261023D+02 -0.723916D+00 -0.475977D+00  0.101104D+01 -0.479851D+01
      4   0.208802D+02 -0.190064D+00  0.833451D+00  0.167677D+01  0.110651D+01
      5   0.580126D-03  0.684499D+00  0.393571D+01 -0.480966D+00  0.796219D+01
      6  -0.420167D+00  0.669331D+01  0.220690D+01 -0.941336D-01  0.281447D+02
               136           137           138           139           140 
      1   0.475508D+00 -0.721121D+00  0.116124D+01 -0.967104D+00 -0.498334D+01
      2  -0.303367D+01  0.781655D+00 -0.312143D+00  0.131829D+01  0.362555D+01
      3   0.255817D+01 -0.605339D-01 -0.849101D+00 -0.351182D+00  0.135780D+01
      4  -0.211209D+00  0.280659D+01  0.319488D+01  0.213207D+01  0.175631D+01
      5   0.164995D+01  0.100694D+01  0.659844D+01  0.131110D+00  0.115014D+01
      6   0.400401D+01  0.254241D+00  0.823153D+00  0.146086D+00  0.395524D+01
               141           142           143           144           145 
      1  -0.207775D+01  0.727103D+00 -0.659349D+01 -0.169260D+02  0.424555D+02
      2   0.356654D+01 -0.721965D+00  0.474211D+01 -0.106970D+02 -0.200088D+02
      3  -0.148880D+01 -0.513813D-02  0.185138D+01  0.276229D+02 -0.224467D+02
      4   0.990696D+00  0.440153D+01  0.326635D+01  0.116305D+01 -0.308280D+02
      5  -0.846569D-01  0.492947D+01  0.209862D+01  0.104877D+02  0.186329D+01
      6   0.677472D+01  0.157232D+01  0.903417D+01  0.256961D+02 -0.329328D+01
               146           147           148           149           150 
      1  -0.381653D+01  0.393556D+01  0.262911D+01  0.199240D+01  0.611014D+00
      2  -0.266370D+01 -0.162102D+01 -0.353491D+01  0.593488D+00 -0.802220D+00
      3   0.648023D+01 -0.231454D+01  0.905801D+00 -0.258589D+01  0.191206D+00
      4   0.121347D+02 -0.188723D+01  0.380343D+01 -0.215657D+01  0.859671D+00
      5   0.165243D+00  0.584305D+01  0.912969D-01  0.956786D+00 -0.547923D+00
      6  -0.382048D+00 -0.434798D+01 -0.155453D+00 -0.676242D+00  0.365930D+00
               151           152           153           154           155 
      1   0.736548D+01 -0.806922D-01  0.352421D+01  0.138794D+02  0.891036D+01
      2  -0.367119D+01 -0.117045D+01 -0.286395D+01 -0.416535D+01 -0.145708D+01
      3  -0.369429D+01  0.125114D+01 -0.660256D+00 -0.971408D+01 -0.745328D+01
      4  -0.588105D+01  0.260073D+01 -0.356459D+01  0.133976D+02  0.149879D+02
      5   0.670636D+01 -0.143132D+01  0.127659D+01 -0.500271D+00 -0.157399D+00
      6  -0.371486D+01  0.200408D+01 -0.400900D+00  0.639381D-01  0.659843D+00
               156           157           158           159           160 
      1  -0.100989D+01  0.188294D+02  0.897835D+01  0.302449D+00 -0.335279D+01
      2   0.217806D+00 -0.500029D+01  0.607051D+01 -0.123596D+01  0.142005D+01
      3   0.792086D+00 -0.138291D+02 -0.150489D+02  0.933508D+00  0.193274D+01
      4  -0.504630D+00  0.241579D+02  0.341968D+02 -0.130982D+01 -0.295150D+01
      5   0.349933D+01  0.476484D+00 -0.171733D+01  0.560620D+01  0.510871D+01
      6   0.134319D+01  0.106813D+01  0.100241D+01  0.254969D+01  0.216550D+01
               161           162           163           164           165 
      1  -0.115800D+01  0.146624D+01 -0.542451D+01  0.147673D+02  0.262736D-01
      2  -0.597603D+00 -0.108356D+01  0.916818D+01 -0.235824D+02 -0.557121D+00
      3   0.175560D+01 -0.382687D+00 -0.374367D+01  0.881513D+01  0.530847D+00
      4  -0.415248D+01  0.424919D+01 -0.814156D+01  0.685154D+01  0.974551D+00
      5   0.410812D+01  0.893697D-01  0.483198D+00 -0.669092D+00 -0.507067D+00
      6   0.322542D+01 -0.413452D+00  0.123429D+01 -0.565751D-01 -0.278943D+01
               166           167           168           169           170 
      1   0.756857D+01 -0.249043D+02 -0.596031D+00  0.790894D+00 -0.333414D+01
      2  -0.113567D+02  0.419948D+02  0.160658D+01 -0.129733D+01  0.508825D+01
      3   0.378810D+01 -0.170904D+02 -0.101055D+01  0.506437D+00 -0.175410D+01
      4   0.791506D+01 -0.567159D+01 -0.342589D+00  0.140242D+01 -0.490040D+00
      5  -0.554100D+00  0.793554D+00  0.408767D+00  0.104619D+01  0.121249D-01
      6  -0.557742D+00  0.877709D+00  0.565330D+01 -0.164683D+01  0.645860D+01
               171           172           173           174           175 
      1  -0.385903D+01  0.595126D+02 -0.854112D+01 -0.694072D+01 -0.921165D+01
      2   0.380792D+01 -0.313325D+02 -0.191499D+01  0.609332D+01  0.100854D+01
      3   0.511054D-01 -0.281801D+02  0.104561D+02  0.847400D+00  0.820311D+01
      4  -0.986502D+00 -0.226688D+02  0.284267D+02  0.113405D+01  0.287561D+02
      5  -0.481421D+00 -0.100253D+02  0.477263D+00  0.134252D+02  0.117525D+01
      6   0.172437D+00  0.866531D+00 -0.614620D+00 -0.423330D+01 -0.501138D+00
               176           177           178           179           180 
      1   0.249312D+02 -0.334868D+01 -0.152029D+02  0.128510D+01  0.722800D+01
      2  -0.149107D+02  0.717818D+00  0.844898D+01  0.154292D+01 -0.972637D+01
      3  -0.100204D+02  0.263087D+01  0.675397D+01 -0.282802D+01  0.249837D+01
      4   0.263260D+01 -0.493162D+01  0.680353D+01 -0.101843D+02 -0.508169D+01
      5  -0.614876D+01 -0.950100D+00  0.177298D+02 -0.535262D+01 -0.674332D+01
      6   0.247734D+01  0.692544D+01 -0.362441D+01  0.485320D+01  0.336861D+01
               181           182           183           184           185 
      1  -0.130985D+01  0.137804D+01  0.752850D+01 -0.177617D+01  0.312732D+00
      2  -0.179949D+01 -0.429511D+00 -0.346157D+01  0.156322D+01 -0.134677D+01
      3   0.310934D+01 -0.948530D+00 -0.406693D+01  0.212942D+00  0.103404D+01
      4   0.119614D+01  0.291490D+01 -0.206515D+00  0.527389D+01  0.250385D+01
      5   0.629841D+01 -0.267381D+00  0.409968D+01 -0.243408D+00  0.498065D+01
      6  -0.239349D-01 -0.604175D+00 -0.263797D+00  0.701775D+00  0.738175D+00
               186           187           188           189           190 
      1  -0.110800D+01  0.108615D+02 -0.386452D+01 -0.122267D+02  0.175822D+02
      2   0.472302D+00 -0.882836D+01  0.154880D+00 -0.169755D+02 -0.607899D+01
      3   0.635696D+00 -0.203319D+01  0.370964D+01  0.292023D+02 -0.115032D+02
      4   0.506991D+01  0.906836D-01  0.791504D+01  0.746629D+01  0.157038D+02
      5  -0.269939D+00  0.123718D+02  0.588148D+01  0.445404D+02 -0.423758D+01
      6   0.536037D+01  0.838314D+00  0.540829D+01  0.407453D+01 -0.962250D+00
               191           192           193           194           195 
      1   0.111742D+02 -0.419651D+01  0.166233D+02  0.774721D+01 -0.447385D+00
      2  -0.326910D+01  0.143001D+01 -0.530793D+01  0.613775D+01 -0.132226D+01
      3  -0.790507D+01  0.276651D+01 -0.113154D+02 -0.138850D+02  0.176965D+01
      4   0.170749D+02 -0.182981D+01  0.212152D+02  0.345173D+02 -0.483443D+01
      5  -0.126824D+01  0.492916D+01 -0.117973D+01 -0.447110D+01  0.631590D+01
      6  -0.348950D+00  0.151377D+01 -0.279989D+00 -0.157947D+01  0.332033D+01
               196           197           198           199           200 
      1  -0.848319D+01 -0.117724D+01  0.188107D+01 -0.138167D+01  0.240990D+01
      2   0.389527D+01 -0.717171D+00 -0.218596D+01  0.873785D+00 -0.219683D+01
      3   0.458792D+01  0.189442D+01  0.304894D+00  0.507886D+00 -0.213070D+00
      4  -0.346942D+01 -0.867981D+01  0.653636D+01  0.617095D+00  0.305455D+01
      5   0.657284D+01  0.666320D+01 -0.178509D+01 -0.463745D+00 -0.946629D+00
      6   0.198931D+01  0.372690D+01 -0.200315D+01 -0.284236D+01  0.145833D+01
               201           202           203           204           205 
      1  -0.225750D+01  0.780302D+00 -0.501198D+01  0.270247D+01 -0.179261D+01
      2   0.113546D+01 -0.484754D+00  0.712069D+01 -0.490150D+01  0.753371D-01
      3   0.112204D+01 -0.295547D+00 -0.210871D+01  0.219903D+01  0.171728D+01
      4  -0.300743D+01  0.216599D+01  0.108149D+01 -0.997326D+00 -0.591478D+01
      5   0.115362D+01 -0.202312D+00 -0.101903D+01  0.115910D+01  0.216225D+01
      6  -0.364425D+01 -0.129051D+00 -0.526555D+01  0.591641D+01  0.147809D+00
               206           207           208           209           210 
      1   0.118293D+02 -0.149954D+02 -0.923836D+01 -0.788911D+01  0.149499D+01
      2  -0.128585D+02  0.459082D+01  0.650367D+01  0.756575D+01 -0.814932D+00
      3   0.102920D+01  0.104046D+02  0.273469D+01  0.323369D+00 -0.680059D+00
      4  -0.470190D+01  0.231379D+01 -0.241076D+00 -0.805366D+01 -0.105419D+00
      5   0.388288D+01 -0.961832D+01  0.146682D+01  0.611074D+00 -0.168034D+01
      6   0.165723D+02 -0.340701D+02 -0.532689D+00 -0.349746D+00  0.310332D+00
               211           212           213           214           215 
      1  -0.148881D+02 -0.142843D+02  0.168545D+01  0.299679D+01  0.183578D+01
      2   0.850170D+01  0.215898D+02 -0.202568D+01 -0.173396D+01 -0.229891D+01
      3   0.638643D+01 -0.730549D+01  0.340236D+00 -0.126283D+01  0.463133D+00
      4   0.373848D+01 -0.323963D+02  0.124373D+01 -0.520771D+00  0.433964D+01
      5   0.156780D+01  0.224130D+01 -0.671878D+01  0.185250D+01 -0.393089D+01
      6  -0.247171D-01 -0.109741D+01  0.310613D+01 -0.607218D-02  0.390299D+01
               216 
      1  -0.188055D+01
      2   0.940886D+00
      3   0.939664D+00
      4  -0.332366D+01
      5  -0.206692D+00
      6  -0.554913D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x         -0.113013D+01     -0.287250D+01     -0.958162D+01
   y         -0.243536D+00     -0.619006D+00     -0.206478D+01
   z          0.571690D+00      0.145309D+01      0.484699D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.102821D+03      0.152364D+02      0.169528D+02
   yx         0.208616D+01      0.309137D+00      0.343962D+00
   yy         0.978111D+02      0.144941D+02      0.161269D+02
   zx         0.263270D+00      0.390126D-01      0.434074D-01
   zy        -0.338801D+00     -0.502051D-01     -0.558608D-01
   zz         0.781635D+02      0.115826D+02      0.128874D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.981564D+02      0.145453D+02      0.161838D+02
   aniso      0.223973D+02      0.331894D+01      0.369281D+01
   xx         0.107976D+03      0.160004D+02      0.178028D+02
   yx         0.136796D+01      0.202711D+00      0.225546D+00
   yy         0.102878D+03      0.152449D+02      0.169622D+02
   zx         0.322495D+00      0.477888D-01      0.531722D-01
   zy        -0.409904D+00     -0.607415D-01     -0.675840D-01
   zz         0.836158D+02      0.123906D+02      0.137864D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.54266994          2.02535122          1.29161337
     6         -0.95635198         -0.26567440          2.91046175
     6          0.42874544          2.32943939         -0.77478669
     6          0.65713622         -0.12673095         -2.26956908
     8          1.21589653         -2.17742244         -0.58644082
     6         -0.67563164         -2.60931000          1.24545992
     8         -1.56754017          4.29978237          2.72019065
     1         -3.39174972          1.73724001          0.39438122
     8         -2.95553432         -0.54377077          4.67341486
     1          0.84941378          0.04563134          3.88969116
     1          2.25641581          2.74168966          0.11881756
     8         -0.24524049          4.28506982         -2.47289372
     6          2.76466779         -0.07912372         -4.20702944
     1         -1.13859687         -0.50644186         -3.23503627
     8         -0.01798028         -4.73711711          2.66030487
     1         -2.48581180         -3.06093689          0.34406462
     1         -2.78128510          4.10303366          4.06586480
     1         -2.70414890         -2.11045991          5.57229880
     1         -0.69008841          5.74227380         -1.46977825
     8          2.87030051         -2.35536506         -5.60838635
     1          4.55977624          0.28839379         -3.23345777
     1          2.42446799          1.44801353         -5.54191629
     1          1.70184111         -4.51586438          3.23634673
     1          2.94517143         -3.72569013         -4.40770545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128970D+01      0.327809D+01      0.109345D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128970D+01      0.327809D+01      0.109345D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929318D+02      0.137711D+02      0.153224D+02
   aniso      0.228726D+02      0.338937D+01      0.377119D+01
   xx         0.838819D+02      0.124300D+02      0.138303D+02
   yx        -0.282562D+01     -0.418713D+00     -0.465881D+00
   yy         0.965736D+02      0.143107D+02      0.159228D+02
   zx        -0.973500D+01     -0.144258D+01     -0.160508D+01
   zy        -0.307035D+01     -0.454979D+00     -0.506233D+00
   zz         0.983397D+02      0.145724D+02      0.162140D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.981564D+02      0.145453D+02      0.161838D+02
   aniso      0.223973D+02      0.331894D+01      0.369281D+01
   xx         0.894040D+02      0.132483D+02      0.147407D+02
   yx        -0.316373D+01     -0.468816D+00     -0.521628D+00
   yy         0.101787D+03      0.150833D+02      0.167824D+02
   zx        -0.964798D+01     -0.142968D+01     -0.159074D+01
   zy        -0.247195D+01     -0.366305D+00     -0.407569D+00
   zz         0.103278D+03      0.153043D+02      0.170283D+02

 ----------------------------------------------------------------------
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 Mondays are the potholes in the road of life.
                                -- Tom Wilson
 Job cpu time:       0 days  7 hours 39 minutes 40.7 seconds.
 Elapsed time:       0 days  0 hours 57 minutes 30.8 seconds.
 File lengths (MBytes):  RWF=    419 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:44:40 2021.
